CID 9557079

Akos001632366

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1=CC=C2C(=C1)N=CN2CC(=O)N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C16H14N4O2/c21-13-5-3-4-12(8-13)9-18-19-16(22)10-20-11-17-14-6-1-2-7-15(14)20/h1-9,11,21H,10H2,(H,19,22)/b18-9+
InChIKey
HFRUOXLZXPPFHO-GIJQJNRQSA-N
Compound name
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 164.9
[M+Na]+ 317.10088 173.2
[M-H]- 293.10438 170.6
[M+NH4]+ 312.14548 179.6
[M+K]+ 333.07482 168.2
[M+H-H2O]+ 277.10892 155.4
[M+HCOO]- 339.10986 189.9
[M+CH3COO]- 353.12551 176.5
[M+Na-2H]- 315.08633 172.1
[M]+ 294.11111 166.8
[M]- 294.11221 166.8
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.