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
1
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]+ 300.19582 176.0
[M+Na]+ 322.17776 180.1
[M-H]- 298.18126 182.6
[M+NH4]+ 317.22236 196.5
[M+K]+ 338.15170 177.0
[M+H-H2O]+ 282.18580 169.5
[M+HCOO]- 344.18674 196.7
[M+CH3COO]- 358.20239 209.3
[M+Na-2H]- 320.16321 174.3
[M]+ 299.18799 176.7
[M]- 299.18909 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.