PubChemLite - 1093403-33-8 (C26H24N6O2S2)

Structural Information

Molecular Formula

SMILES

CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6

InChI

InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)

InChIKey

LAMQVIQMVKWXOC-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	517.14748	212.7
[M+Na]+	539.12942	223.9
[M-H]-	515.13292	226.3
[M+NH4]+	534.17402	218.8
[M+K]+	555.10336	217.7
[M+H-H2O]+	499.13746	206.0
[M+HCOO]-	561.13840	223.0
[M+CH3COO]-	575.15405	221.4
[M+Na-2H]-	537.11487	207.8
[M]+	516.13965	218.5
[M]-	516.14075	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.14748

212.7

[M+Na]+

539.12942

223.9

[M-H]-

515.13292

226.3

[M+NH4]+

534.17402

218.8

[M+K]+

555.10336

217.7

[M+H-H2O]+

499.13746

206.0

[M+HCOO]-

561.13840

223.0

[M+CH3COO]-

575.15405

221.4

[M+Na-2H]-

537.11487

207.8

[M]+

516.13965

218.5

[M]-

516.14075

218.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1093403-33-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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