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]+ 306.18526 171.8
[M+Na]+ 328.16720 176.3
[M-H]- 304.17070 178.8
[M+NH4]+ 323.21180 188.2
[M+K]+ 344.14114 175.9
[M+H-H2O]+ 288.17524 166.1
[M+HCOO]- 350.17618 191.2
[M+CH3COO]- 364.19183 213.1
[M+Na-2H]- 326.15265 175.7
[M]+ 305.17743 169.5
[M]- 305.17853 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.