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]+ 327.20671 177.1
[M+Na]+ 349.18865 182.2
[M-H]- 325.19215 181.1
[M+NH4]+ 344.23325 190.7
[M+K]+ 365.16259 182.9
[M+H-H2O]+ 309.19669 170.6
[M+HCOO]- 371.19763 192.6
[M+CH3COO]- 385.21328 215.2
[M+Na-2H]- 347.17410 179.7
[M]+ 326.19888 175.3
[M]- 326.19998 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.