CID 6300244

Nsc679197

Structural Information

Molecular Formula
C16H14N4O3
SMILES
COC1=CC=C(C=C1)/C(=N/NC2=NC3=CC=CC=C3N2)/C(=O)O
InChI
InChI=1S/C16H14N4O3/c1-23-11-8-6-10(7-9-11)14(15(21)22)19-20-16-17-12-4-2-3-5-13(12)18-16/h2-9H,1H3,(H,21,22)(H2,17,18,20)/b19-14-
InChIKey
HHIGDXHKBJDAJU-RGEXLXHISA-N
Compound name
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 167.4
[M+Na]+ 333.09582 174.5
[M-H]- 309.09932 171.9
[M+NH4]+ 328.14042 180.4
[M+K]+ 349.06976 170.1
[M+H-H2O]+ 293.10386 158.2
[M+HCOO]- 355.10480 190.0
[M+CH3COO]- 369.12045 206.5
[M+Na-2H]- 331.08127 173.2
[M]+ 310.10605 168.4
[M]- 310.10715 168.4
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.