CID 9683

Methochlorpromazine

Structural Information

Molecular Formula
C18H22ClN2S
SMILES
C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1
InChIKey
RGKWYLVIZNCRIY-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

42
Patents

333.11923 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12651 173.6
[M+Na]+ 356.10845 181.8
[M-H]- 332.11195 178.5
[M+NH4]+ 351.15305 190.3
[M+K]+ 372.08239 170.0
[M+H-H2O]+ 316.11649 169.3
[M+HCOO]- 378.11743 182.8
[M+CH3COO]- 392.13308 208.3
[M+Na-2H]- 354.09390 181.2
[M]+ 333.11868 177.5
[M]- 333.11978 177.5
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.