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]+ 266.153946 160.5
[M+Na]+ 288.135888 166.6
[M-H]- 264.139394 165.2
[M+NH4]+ 283.180493 177.4
[M+K]+ 304.109828 164.8
[M+H-H2O]+ 248.143930 155.8
[M+HCOO]- 310.144871 179.2
[M+CH3COO]- 324.160521 171.2
[M+Na-2H]- 286.121336 165.7
[M]+ 265.14612142 155.2
[M]- 265.14721858 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

literature stripe

Patent stripe

No patent data available for this compound.