CID 78846

5165-82-2

Structural Information

Molecular Formula
C20H26N4O6S
SMILES
CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)N=NN(C)CCS(=O)(=O)O
InChI
InChI=1S/C20H26N4O6S/c1-4-29-18-14-17(22-23-24(3)11-12-31(26,27)28)19(30-5-2)13-16(18)21-20(25)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,25)(H,26,27,28)
InChIKey
BZHGPKKGOMLXQB-UHFFFAOYSA-N
Compound name
2-[[(4-benzamido-2,5-diethoxyphenyl)diazenyl]-methylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.15732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16460 203.8
[M+Na]+ 473.14654 207.0
[M-H]- 449.15004 212.3
[M+NH4]+ 468.19114 212.5
[M+K]+ 489.12048 205.7
[M+H-H2O]+ 433.15458 193.0
[M+HCOO]- 495.15552 225.8
[M+CH3COO]- 509.17117 242.8
[M+Na-2H]- 471.13199 207.1
[M]+ 450.15677 212.3
[M]- 450.15787 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.