CID 4515

159094-94-7

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)
InChIKey
NGNALWDRPKNJGR-UHFFFAOYSA-N
Compound name
1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

134
References

174
Patents

350.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.4
[M+Na]+ 373.15228 185.7
[M-H]- 349.15578 190.1
[M+NH4]+ 368.19688 193.1
[M+K]+ 389.12622 181.4
[M+H-H2O]+ 333.16032 172.4
[M+HCOO]- 395.16126 202.4
[M+CH3COO]- 409.17691 214.0
[M+Na-2H]- 371.13773 185.8
[M]+ 350.16251 180.8
[M]- 350.16361 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe