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

12915
Patents

298.15036 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15764 167.9
[M+Na]+ 321.13958 174.1
[M-H]- 297.14308 172.3
[M+NH4]+ 316.18418 184.8
[M+K]+ 337.11352 169.7
[M+H-H2O]+ 281.14762 159.7
[M+HCOO]- 343.14856 181.7
[M+CH3COO]- 357.16421 178.4
[M+Na-2H]- 319.12503 171.6
[M]+ 298.14981 170.5
[M]- 298.15091 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.