CID 135750085

67674-21-9

Structural Information

Molecular Formula
C18H14N4O6S
SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H14N4O6S/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28/h1-11,19,23H,(H,26,27,28)
InChIKey
KGOKCFPTPCYMJF-UHFFFAOYSA-N
Compound name
2-[4-[(4-hydroxyphenyl)diazenyl]anilino]-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.06342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07070 187.6
[M+Na]+ 437.05264 191.9
[M-H]- 413.05614 197.2
[M+NH4]+ 432.09724 195.3
[M+K]+ 453.02658 183.3
[M+H-H2O]+ 397.06068 181.5
[M+HCOO]- 459.06162 209.7
[M+CH3COO]- 473.07727 220.6
[M+Na-2H]- 435.03809 196.8
[M]+ 414.06287 187.5
[M]- 414.06397 187.5
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.