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]+ 328.22710 181.9
[M+Na]+ 350.20904 193.1
[M+NH4]+ 345.25364 192.0
[M+K]+ 366.18298 182.8
[M-H]- 326.21254 187.2
[M+Na-2H]- 348.19449 188.5
[M]+ 327.21927 185.1
[M]- 327.22037 185.1
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.