CID 114322

Ciba 17040

Structural Information

Molecular Formula
C21H25ClN2S
SMILES
CN(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C4CCCC4
InChI
InChI=1S/C21H25ClN2S/c1-23(17-7-2-3-8-17)13-6-14-24-18-9-4-5-10-20(18)25-21-12-11-16(22)15-19(21)24/h4-5,9-12,15,17H,2-3,6-8,13-14H2,1H3
InChIKey
DBNRFXHGOGINSU-UHFFFAOYSA-N
Compound name
N-[3-(2-chlorophenothiazin-10-yl)propyl]-N-methylcyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1427 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14998 188.0
[M+Na]+ 395.13192 194.4
[M-H]- 371.13542 195.0
[M+NH4]+ 390.17652 204.5
[M+K]+ 411.10586 187.6
[M+H-H2O]+ 355.13996 180.0
[M+HCOO]- 417.14090 196.7
[M+CH3COO]- 431.15655 197.3
[M+Na-2H]- 393.11737 187.4
[M]+ 372.14215 190.5
[M]- 372.14325 190.5
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.