CID 25076559

94021-67-7

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC1(CCC=C2C1CCCC2C=NC3=CC=CC=C3C(=O)OC)C
InChI
InChI=1S/C21H27NO2/c1-21(2)13-7-10-16-15(8-6-11-18(16)21)14-22-19-12-5-4-9-17(19)20(23)24-3/h4-5,9-10,12,14-15,18H,6-8,11,13H2,1-3H3
InChIKey
MZXNHAWDQVIETF-UHFFFAOYSA-N
Compound name
methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 179.6
[M+Na]+ 348.19342 184.0
[M-H]- 324.19692 187.1
[M+NH4]+ 343.23802 196.8
[M+K]+ 364.16736 180.2
[M+H-H2O]+ 308.20146 171.0
[M+HCOO]- 370.20240 197.8
[M+CH3COO]- 384.21805 214.5
[M+Na-2H]- 346.17887 181.6
[M]+ 325.20365 177.2
[M]- 325.20475 177.2
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.