CID 19392

Aminopromazine

Structural Information

Molecular Formula
C19H25N3S
SMILES
CN(C)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C19H25N3S/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22/h5-12,15H,13-14H2,1-4H3
InChIKey
YZQNFFLGIYEXMM-UHFFFAOYSA-N
Compound name
1-N,1-N,2-N,2-N-tetramethyl-3-phenothiazin-10-ylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1001
Patents

327.1769 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.184176 176.0
[M+Na]+ 350.166118 180.8
[M-H]- 326.169624 181.4
[M+NH4]+ 345.210723 191.8
[M+K]+ 366.140058 177.6
[M+H-H2O]+ 310.174160 167.0
[M+HCOO]- 372.175101 190.7
[M+CH3COO]- 386.190751 222.5
[M+Na-2H]- 348.151566 179.2
[M]+ 327.17635142 179.5
[M]- 327.17744858 179.5
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