CID 747008

N-[(2-oxo(1h-benzo[d]azolin-3-ylidene))azamethyl]-2-(phenylcarbonylamino)aceta mide

Structural Information

Molecular Formula
C17H14N4O3
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C17H14N4O3/c22-14(10-18-16(23)11-6-2-1-3-7-11)20-21-15-12-8-4-5-9-13(12)19-17(15)24/h1-9,19,24H,10H2,(H,18,23)
InChIKey
WAIUEFMKSYEDQG-UHFFFAOYSA-N
Compound name
N-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.1066 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 170.4
[M+Na]+ 345.09582 177.0
[M-H]- 321.09932 177.4
[M+NH4]+ 340.14042 184.6
[M+K]+ 361.06976 173.0
[M+H-H2O]+ 305.10386 161.3
[M+HCOO]- 367.10480 196.7
[M+CH3COO]- 381.12045 212.2
[M+Na-2H]- 343.08127 176.6
[M]+ 322.10605 171.4
[M]- 322.10715 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.