CID 478594

N-[3-(2-chlorophenothiazin-10-yl)propyl]methanesulfonamide

Structural Information

Molecular Formula
C16H17ClN2O2S2
SMILES
CS(=O)(=O)NCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2O2S2/c1-23(20,21)18-9-4-10-19-13-5-2-3-6-15(13)22-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3
InChIKey
YXVMGBODQFAULX-UHFFFAOYSA-N
Compound name
N-[3-(2-chlorophenothiazin-10-yl)propyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04928 176.9
[M+Na]+ 391.03122 185.9
[M-H]- 367.03472 180.1
[M+NH4]+ 386.07582 191.6
[M+K]+ 407.00516 178.3
[M+H-H2O]+ 351.03926 171.2
[M+HCOO]- 413.04020 181.3
[M+CH3COO]- 427.05585 186.5
[M+Na-2H]- 389.01667 182.5
[M]+ 368.04145 182.6
[M]- 368.04255 182.6
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.