CID 9570771

2-(o-((2-oxo-hexahydro-1h-azepin-3-ylidene)hydrazinyl)phenyl)acetic acid

Structural Information

Molecular Formula
C14H17N3O3
SMILES
C1CCNC(=O)/C(=N\NC2=CC=CC=C2CC(=O)O)/C1
InChI
InChI=1S/C14H17N3O3/c18-13(19)9-10-5-1-2-6-11(10)16-17-12-7-3-4-8-15-14(12)20/h1-2,5-6,16H,3-4,7-9H2,(H,15,20)(H,18,19)/b17-12-
InChIKey
OOVNDEZIDJSILO-ATVHPVEESA-N
Compound name
2-[2-[(2Z)-2-(2-oxoazepan-3-ylidene)hydrazinyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 161.7
[M+Na]+ 298.11620 163.8
[M-H]- 274.11970 166.1
[M+NH4]+ 293.16080 173.7
[M+K]+ 314.09014 165.7
[M+H-H2O]+ 258.12424 153.2
[M+HCOO]- 320.12518 180.5
[M+CH3COO]- 334.14083 200.4
[M+Na-2H]- 296.10165 164.3
[M]+ 275.12643 153.2
[M]- 275.12753 153.2
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.