CID 175132

Benzoic acid, 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl ester

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(CC1CC2CCC1C2)C=NC3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C19H25NO2/c1-13(9-16-11-14-7-8-15(16)10-14)12-20-18-6-4-3-5-17(18)19(21)22-2/h3-6,12-16H,7-11H2,1-2H3
InChIKey
OKFCAIWJERUNHP-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 176.0
[M+Na]+ 322.177758 180.1
[M-H]- 298.181264 182.6
[M+NH4]+ 317.222363 196.5
[M+K]+ 338.151698 177.0
[M+H-H2O]+ 282.185800 169.5
[M+HCOO]- 344.186741 196.7
[M+CH3COO]- 358.202391 209.3
[M+Na-2H]- 320.163206 174.3
[M]+ 299.18799142 176.7
[M]- 299.18908858 176.7
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

No patent data available for this compound.