CID 28315

Desmonomethylpromazine

Structural Information

Molecular Formula
C16H18N2S
SMILES
CNCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3
InChIKey
WOCOVPRTRIBGFZ-UHFFFAOYSA-N
Compound name
N-methyl-3-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

11
Patents

270.11908 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12636 157.5
[M+Na]+ 293.10830 165.1
[M-H]- 269.11180 160.9
[M+NH4]+ 288.15290 175.1
[M+K]+ 309.08224 159.2
[M+H-H2O]+ 253.11634 149.9
[M+HCOO]- 315.11728 172.7
[M+CH3COO]- 329.13293 168.6
[M+Na-2H]- 291.09375 164.1
[M]+ 270.11853 158.9
[M]- 270.11963 158.9
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