CID 5574

Trimeprazine

Structural Information

Molecular Formula
C18H22N2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
InChIKey
ZZHLYYDVIOPZBE-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

390
References

12967
Patents

298.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.157636 167.9
[M+Na]+ 321.139578 174.1
[M-H]- 297.143084 172.3
[M+NH4]+ 316.184183 184.8
[M+K]+ 337.113518 169.7
[M+H-H2O]+ 281.147620 159.7
[M+HCOO]- 343.148561 181.7
[M+CH3COO]- 357.164211 178.4
[M+Na-2H]- 319.125026 171.6
[M]+ 298.14981142 170.5
[M]- 298.15090858 170.5
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