CID 19815004

Benzoic acid, 2-((3-phenylbutylidene)amino)-, methyl ester

Structural Information

Molecular Formula
C18H19NO2
SMILES
CC(CC=NC1=CC=CC=C1C(=O)OC)C2=CC=CC=C2
InChI
InChI=1S/C18H19NO2/c1-14(15-8-4-3-5-9-15)12-13-19-17-11-7-6-10-16(17)18(20)21-2/h3-11,13-14H,12H2,1-2H3
InChIKey
OFNNBPIYPPTUGK-UHFFFAOYSA-N
Compound name
methyl 2-(3-phenylbutylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

281.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 167.3
[M+Na]+ 304.13079 172.7
[M-H]- 280.13429 174.8
[M+NH4]+ 299.17539 183.1
[M+K]+ 320.10473 169.6
[M+H-H2O]+ 264.13883 158.7
[M+HCOO]- 326.13977 191.7
[M+CH3COO]- 340.15542 205.4
[M+Na-2H]- 302.11624 170.8
[M]+ 281.14102 169.3
[M]- 281.14212 169.3
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