CID 415643

Nsc71747

Structural Information

Molecular Formula
C21H25ClN4OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CC(=O)N
InChI
InChI=1S/C21H25ClN4OS/c22-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)28-20)9-3-8-24-10-12-25(13-11-24)15-21(23)27/h1-2,4-7,14H,3,8-13,15H2,(H2,23,27)
InChIKey
IQTJUKCTIMZVNF-UHFFFAOYSA-N
Compound name
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.14377 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15105 194.6
[M+Na]+ 439.13299 200.2
[M-H]- 415.13649 196.5
[M+NH4]+ 434.17759 203.4
[M+K]+ 455.10693 192.1
[M+H-H2O]+ 399.14103 184.7
[M+HCOO]- 461.14197 196.6
[M+CH3COO]- 475.15762 200.9
[M+Na-2H]- 437.11844 194.9
[M]+ 416.14322 194.0
[M]- 416.14432 194.0
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.