CID 27766

Nortriptyline ethyl carbamate

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCOC(=O)N(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C22H25NO2/c1-3-25-22(24)23(2)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21/h4-7,9-13H,3,8,14-16H2,1-2H3
InChIKey
UXMJVVWLCYRSBS-UHFFFAOYSA-N
Compound name
ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 179.8
[M+Na]+ 358.17776 183.8
[M-H]- 334.18126 186.6
[M+NH4]+ 353.22236 195.0
[M+K]+ 374.15170 184.0
[M+H-H2O]+ 318.18580 173.7
[M+HCOO]- 380.18674 199.0
[M+CH3COO]- 394.20239 217.2
[M+Na-2H]- 356.16321 183.2
[M]+ 335.18799 179.0
[M]- 335.18909 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.