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]+ 323.113876 170.4
[M+Na]+ 345.095818 177.0
[M-H]- 321.099324 177.4
[M+NH4]+ 340.140423 184.6
[M+K]+ 361.069758 173.0
[M+H-H2O]+ 305.103860 161.3
[M+HCOO]- 367.104801 196.7
[M+CH3COO]- 381.120451 212.2
[M+Na-2H]- 343.081266 176.6
[M]+ 322.10605142 171.4
[M]- 322.10714858 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.