CID 9570771

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

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]+ 276.134256 161.7
[M+Na]+ 298.116198 163.8
[M-H]- 274.119704 166.1
[M+NH4]+ 293.160803 173.7
[M+K]+ 314.090138 165.7
[M+H-H2O]+ 258.124240 153.2
[M+HCOO]- 320.125181 180.5
[M+CH3COO]- 334.140831 200.4
[M+Na-2H]- 296.101646 164.3
[M]+ 275.12643142 153.2
[M]- 275.12752858 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.