CID 4053593

2675-42-5

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC(=NNC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O2/c1-11(12-5-3-2-4-6-12)16-17-14-9-7-13(8-10-14)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKey
MRGAGDMCVDFJLP-UHFFFAOYSA-N
Compound name
4-[2-(1-phenylethylidene)hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.10553 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.2
[M+Na]+ 277.09475 162.5
[M-H]- 253.09825 163.8
[M+NH4]+ 272.13935 172.9
[M+K]+ 293.06869 159.2
[M+H-H2O]+ 237.10279 149.0
[M+HCOO]- 299.10373 182.1
[M+CH3COO]- 313.11938 199.6
[M+Na-2H]- 275.08020 162.3
[M]+ 254.10498 155.7
[M]- 254.10608 155.7
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

patents stripe