CID 6506716

E-10-hydroxydesmethylnortriptyline

Structural Information

Molecular Formula
C18H19NO
SMILES
C1C(C2=CC=CC=C2/C(=C/CCN)/C3=CC=CC=C31)O
InChI
InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+
InChIKey
PIEVJGJKDMQGSG-XNTDXEJSSA-N
Compound name
(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 160.5
[M+Na]+ 288.13589 166.6
[M-H]- 264.13939 165.2
[M+NH4]+ 283.18049 177.4
[M+K]+ 304.10983 164.8
[M+H-H2O]+ 248.14393 155.8
[M+HCOO]- 310.14487 179.2
[M+CH3COO]- 324.16052 171.2
[M+Na-2H]- 286.12134 165.7
[M]+ 265.14612 155.2
[M]- 265.14722 155.2
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.