CID 25076561

94021-71-3

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC1(CCC=C2C1CCC(C2)C=NC3=CC=CC=C3C(=O)OC)C
InChI
InChI=1S/C21H27NO2/c1-21(2)12-6-7-16-13-15(10-11-18(16)21)14-22-19-9-5-4-8-17(19)20(23)24-3/h4-5,7-9,14-15,18H,6,10-13H2,1-3H3
InChIKey
HYWBKWFKDHFAGD-UHFFFAOYSA-N
Compound name
methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 192.7
[M+NH4]+ 343.23802 190.7
[M+K]+ 364.16736 182.2
[M-H]- 324.19692 186.1
[M+Na-2H]- 346.17887 188.1
[M]+ 325.20365 184.0
[M]- 325.20475 184.0
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.