CID 10246110

2-hydroxyclomipramine

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CN(C)CCCN1C2=CC=CC=C2CCC3=CC(=C(C=C31)Cl)O
InChI
InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)8-9-15-12-19(23)16(20)13-18(15)22/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3
InChIKey
QXZNSJJZRXNDJQ-UHFFFAOYSA-N
Compound name
2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

330.1499 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 176.1
[M+Na]+ 353.13912 184.0
[M-H]- 329.14262 180.9
[M+NH4]+ 348.18372 191.3
[M+K]+ 369.11306 182.6
[M+H-H2O]+ 313.14716 169.3
[M+HCOO]- 375.14810 189.9
[M+CH3COO]- 389.16375 186.3
[M+Na-2H]- 351.12457 180.1
[M]+ 330.14935 176.8
[M]- 330.15045 176.8
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

patents stripe