CID 3042818

Heptylpromazine

Structural Information

Molecular Formula
C22H28N2OS
SMILES
CCCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C22H28N2OS/c1-4-5-10-20(25)17-12-13-22-19(16-17)24(15-8-14-23(2)3)18-9-6-7-11-21(18)26-22/h6-7,9,11-13,16H,4-5,8,10,14-15H2,1-3H3
InChIKey
IJDCIBPYIVNCEV-UHFFFAOYSA-N
Compound name
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.19223 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 188.8
[M+Na]+ 391.18145 194.0
[M-H]- 367.18495 192.6
[M+NH4]+ 386.22605 202.8
[M+K]+ 407.15539 188.8
[M+H-H2O]+ 351.18949 179.8
[M+HCOO]- 413.19043 201.4
[M+CH3COO]- 427.20608 225.5
[M+Na-2H]- 389.16690 189.8
[M]+ 368.19168 193.8
[M]- 368.19278 193.8
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

patents stripe