CID 18847

Methopromazine

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKey
BRABPYPSZVCCLR-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

1742
Patents

314.1453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.152576 171.6
[M+Na]+ 337.134518 178.9
[M-H]- 313.138024 176.3
[M+NH4]+ 332.179123 188.1
[M+K]+ 353.108458 174.6
[M+H-H2O]+ 297.142560 163.3
[M+HCOO]- 359.143501 186.6
[M+CH3COO]- 373.159151 182.4
[M+Na-2H]- 335.119966 175.8
[M]+ 314.14475142 176.6
[M]- 314.14584858 176.6
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