CID 1255359

350795-40-3

Structural Information

Molecular Formula
C18H16N4O4
SMILES
C1=CC=C(C=C1)NCC(=O)N=NC2=C(N(C3=CC=CC=C32)CC(=O)O)O
InChI
InChI=1S/C18H16N4O4/c23-15(10-19-12-6-2-1-3-7-12)20-21-17-13-8-4-5-9-14(13)22(18(17)26)11-16(24)25/h1-9,19,26H,10-11H2,(H,24,25)
InChIKey
UXCMNRIGTBSFET-UHFFFAOYSA-N
Compound name
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.11716 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12444 177.7
[M+Na]+ 375.10638 184.3
[M-H]- 351.10988 184.8
[M+NH4]+ 370.15098 190.8
[M+K]+ 391.08032 180.9
[M+H-H2O]+ 335.11442 168.4
[M+HCOO]- 397.11536 203.7
[M+CH3COO]- 411.13101 219.4
[M+Na-2H]- 373.09183 182.8
[M]+ 352.11661 180.9
[M]- 352.11771 180.9
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.