CID 190931

2,10-dihydroxytrimipramine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC(CN1C2=C(CC(C3=CC=CC=C31)O)C=C(C=C2)O)CN(C)C
InChI
InChI=1S/C20H26N2O2/c1-14(12-21(2)3)13-22-18-9-8-16(23)10-15(18)11-20(24)17-6-4-5-7-19(17)22/h4-10,14,20,23-24H,11-13H2,1-3H3
InChIKey
YJZVBKBRKRTYTA-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepine-3,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 177.1
[M+Na]+ 349.188648 182.2
[M-H]- 325.192154 181.1
[M+NH4]+ 344.233253 190.7
[M+K]+ 365.162588 182.9
[M+H-H2O]+ 309.196690 170.6
[M+HCOO]- 371.197631 192.6
[M+CH3COO]- 385.213281 215.2
[M+Na-2H]- 347.174096 179.7
[M]+ 326.19888142 175.3
[M]- 326.19997858 175.3
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.