CID 2801

Clomipramine

Structural Information

Molecular Formula
C19H23ClN2
SMILES
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKey
GDLIGKIOYRNHDA-UHFFFAOYSA-N
Compound name
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3678
References

41422
Patents

314.15497 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16225 172.8
[M+Na]+ 337.14419 180.3
[M-H]- 313.14769 178.4
[M+NH4]+ 332.18879 189.0
[M+K]+ 353.11813 178.6
[M+H-H2O]+ 297.15223 165.6
[M+HCOO]- 359.15317 187.8
[M+CH3COO]- 373.16882 183.4
[M+Na-2H]- 335.12964 177.7
[M]+ 314.15442 173.4
[M]- 314.15552 173.4
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.