PubChemLite - 452962-97-9 (C23H26BrN5O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=C(C=CC(=C1)N(CCOC)CCOC)N=NC2=C(C=C3C(=C2)C(=O)N(C3=O)C)Br

InChI

InChI=1S/C23H26BrN5O5/c1-14(30)25-21-11-15(29(7-9-33-3)8-10-34-4)5-6-19(21)26-27-20-13-17-16(12-18(20)24)22(31)28(2)23(17)32/h5-6,11-13H,7-10H2,1-4H3,(H,25,30)

InChIKey

VYWIVLMZXJEINO-UHFFFAOYSA-N

Compound name

N-[5-[bis(2-methoxyethyl)amino]-2-[(6-bromo-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]phenyl]acetamide

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]+	532.11904	213.8
[M+Na]+	554.10098	221.6
[M-H]-	530.10448	225.7
[M+NH4]+	549.14558	225.3
[M+K]+	570.07492	211.8
[M+H-H2O]+	514.10902	207.8
[M+HCOO]-	576.10996	237.3
[M+CH3COO]-	590.12561	258.3
[M+Na-2H]-	552.08643	214.5
[M]+	531.11121	239.8
[M]-	531.11231	239.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.11904

213.8

[M+Na]+

554.10098

221.6

[M-H]-

530.10448

225.7

[M+NH4]+

549.14558

225.3

[M+K]+

570.07492

211.8

[M+H-H2O]+

514.10902

207.8

[M+HCOO]-

576.10996

237.3

[M+CH3COO]-

590.12561

258.3

[M+Na-2H]-

552.08643

214.5

[M]+

531.11121

239.8

[M]-

531.11231

239.8

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

452962-97-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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