CID 91808898

75627-35-9

Structural Information

Molecular Formula
C29H29N5O8S2
SMILES
CCC(COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N(C)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C29H29N5O8S2/c1-3-24(35)20-42-25-15-13-23(14-16-25)32-31-22-11-9-21(10-12-22)30-28-18-17-27(19-29(28)34(36)37)44(40,41)33(2)43(38,39)26-7-5-4-6-8-26/h4-19,24,30,35H,3,20H2,1-2H3
InChIKey
GPDWZWHVWLZOCX-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-4-[4-[[4-(2-hydroxybutoxy)phenyl]diazenyl]anilino]-N-methyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

639.14575 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.15303 240.6
[M+Na]+ 662.13497 238.4
[M-H]- 638.13847 252.2
[M+NH4]+ 657.17957 238.5
[M+K]+ 678.10891 230.9
[M+H-H2O]+ 622.14301 231.3
[M+HCOO]- 684.14395 255.0
[M+CH3COO]- 698.15960 265.3
[M+Na-2H]- 660.12042 251.2
[M]+ 639.14520 242.9
[M]- 639.14630 242.9
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.