CID 84172

14053-35-1

Structural Information

Molecular Formula
C20H23ClN4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C20H23ClN4OS/c21-15-6-7-19-17(14-15)25(16-4-1-2-5-18(16)27-19)9-3-8-23-10-12-24(13-11-23)20(22)26/h1-2,4-7,14H,3,8-13H2,(H2,22,26)
InChIKey
PURWGRLHMWOIRC-UHFFFAOYSA-N
Compound name
4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.1281 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13538 190.8
[M+Na]+ 425.11732 197.0
[M-H]- 401.12082 193.0
[M+NH4]+ 420.16192 200.4
[M+K]+ 441.09126 189.1
[M+H-H2O]+ 385.12536 181.2
[M+HCOO]- 447.12630 193.3
[M+CH3COO]- 461.14195 197.6
[M+Na-2H]- 423.10277 191.6
[M]+ 402.12755 189.9
[M]- 402.12865 189.9
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

patents stripe