CID 6077

Acepromazine

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKey
NOSIYYJFMPDDSA-UHFFFAOYSA-N
Compound name
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1128
References

14612
Patents

326.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.3
[M+Na]+ 349.13452 188.7
[M+NH4]+ 344.17912 184.7
[M+K]+ 365.10846 178.4
[M-H]- 325.13802 179.6
[M+Na-2H]- 347.11997 181.2
[M]+ 326.14475 179.1
[M]- 326.14585 179.1
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