CID 25076562

94021-92-8

Structural Information

Molecular Formula
C21H29NO2
SMILES
CC1(CCCC2C1CC(CC2)C=NC3=CC=CC=C3C(=O)OC)C
InChI
InChI=1S/C21H29NO2/c1-21(2)12-6-7-16-11-10-15(13-18(16)21)14-22-19-9-5-4-8-17(19)20(23)24-3/h4-5,8-9,14-16,18H,6-7,10-13H2,1-3H3
InChIKey
SJHLAFMMKQEUGX-UHFFFAOYSA-N
Compound name
methyl 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 180.7
[M+Na]+ 350.209038 184.1
[M-H]- 326.212544 187.8
[M+NH4]+ 345.253643 197.8
[M+K]+ 366.182978 180.5
[M+H-H2O]+ 310.217080 172.2
[M+HCOO]- 372.218021 197.4
[M+CH3COO]- 386.233671 214.9
[M+Na-2H]- 348.194486 181.7
[M]+ 327.21927142 176.9
[M]- 327.22036858 176.9
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.