CID 385584

Nsc676881

Structural Information

Molecular Formula
C22H26N6OS
SMILES
CC(=O)N1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42
InChI
InChI=1S/C22H26N6OS/c1-17(29)27-14-12-26(13-15-27)10-4-5-11-28-19-6-2-3-7-21(19)30-22-16-18(24-25-23)8-9-20(22)28/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKey
UPGZTEULWWKXKO-UHFFFAOYSA-N
Compound name
1-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19615 196.3
[M+Na]+ 445.17809 199.1
[M-H]- 421.18159 200.9
[M+NH4]+ 440.22269 204.0
[M+K]+ 461.15203 187.6
[M+H-H2O]+ 405.18613 188.4
[M+HCOO]- 467.18707 208.5
[M+CH3COO]- 481.20272 230.2
[M+Na-2H]- 443.16354 202.0
[M]+ 422.18832 192.2
[M]- 422.18942 192.2
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.