CID 615972

N-acetylnortriptyline

Structural Information

Molecular Formula
C21H23NO
SMILES
CC(=O)N(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
CDGDSKQTZFJQQF-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 171.8
[M+Na]+ 328.167198 176.3
[M-H]- 304.170704 178.8
[M+NH4]+ 323.211803 188.2
[M+K]+ 344.141138 175.9
[M+H-H2O]+ 288.175240 166.1
[M+HCOO]- 350.176181 191.2
[M+CH3COO]- 364.191831 213.1
[M+Na-2H]- 326.152646 175.7
[M]+ 305.17743142 169.5
[M]- 305.17852858 169.5
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.