CID 3023572

94108-53-9

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=CCC(C1(C)C)CC=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C18H23NO2/c1-13-9-10-14(18(13,2)3)11-12-19-16-8-6-5-7-15(16)17(20)21-4/h5-9,12,14H,10-11H2,1-4H3
InChIKey
LPLMQHGEVCUOSL-UHFFFAOYSA-N
Compound name
methyl 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 167.5
[M+Na]+ 308.16210 175.0
[M-H]- 284.16560 175.9
[M+NH4]+ 303.20670 187.9
[M+K]+ 324.13604 172.0
[M+H-H2O]+ 268.17014 160.9
[M+HCOO]- 330.17108 192.4
[M+CH3COO]- 344.18673 206.6
[M+Na-2H]- 306.14755 168.9
[M]+ 285.17233 170.7
[M]- 285.17343 170.7
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.