PubChemLite - 910232-84-7 (C34H37N5O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C

InChI

InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)

InChIKey

JIFCFQDXHMUPGP-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide

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]+	580.29183	244.2
[M+Na]+	602.27377	258.4
[M+NH4]+	597.31837	247.3
[M+K]+	618.24771	251.7
[M-H]-	578.27727	253.7
[M+Na-2H]-	600.25922	253.2
[M]+	579.28400	248.9
[M]-	579.28510	248.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

580.29183

244.2

[M+Na]+

602.27377

258.4

[M+NH4]+

597.31837

247.3

[M+K]+

618.24771

251.7

[M-H]-

578.27727

253.7

[M+Na-2H]-

600.25922

253.2

[M]+

579.28400

248.9

[M]-

579.28510

248.9

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

910232-84-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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