CID 91998080

75198-84-4

Structural Information

Molecular Formula
C23H25N5O8S2
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NS(=O)(=O)C)[N+](=O)[O-])OCC(C)O
InChI
InChI=1S/C23H25N5O8S2/c1-15-12-19(8-11-23(15)36-14-16(2)29)26-25-18-6-4-17(5-7-18)24-21-10-9-20(13-22(21)28(30)31)38(34,35)27-37(3,32)33/h4-13,16,24,27,29H,14H2,1-3H3
InChIKey
XZMADMDMNOKZFQ-UHFFFAOYSA-N
Compound name
4-[4-[[4-(2-hydroxypropoxy)-3-methylphenyl]diazenyl]anilino]-N-methylsulfonyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.11444 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.12172 222.3
[M+Na]+ 586.10366 222.4
[M-H]- 562.10716 230.8
[M+NH4]+ 581.14826 223.6
[M+K]+ 602.07760 214.0
[M+H-H2O]+ 546.11170 214.6
[M+HCOO]- 608.11264 236.9
[M+CH3COO]- 622.12829 251.0
[M+Na-2H]- 584.08911 232.2
[M]+ 563.11389 224.5
[M]- 563.11499 224.5
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.