CID 357315

Nitacrithiazole

Structural Information

Molecular Formula
C22H15N5O4S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5
InChI
InChI=1S/C22H15N5O4S2/c28-27(29)19-7-3-5-17-20(16-4-1-2-6-18(16)25-21(17)19)24-14-8-10-15(11-9-14)33(30,31)26-22-23-12-13-32-22/h1-13H,(H,23,26)(H,24,25)
InChIKey
NYYOLBFFJSLJQX-UHFFFAOYSA-N
Compound name
4-[(4-nitroacridin-9-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.05655 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.06383 199.8
[M+Na]+ 500.04577 206.6
[M-H]- 476.04927 208.6
[M+NH4]+ 495.09037 207.0
[M+K]+ 516.01971 195.0
[M+H-H2O]+ 460.05381 195.1
[M+HCOO]- 522.05475 213.3
[M+CH3COO]- 536.07040 228.8
[M+Na-2H]- 498.03122 211.7
[M]+ 477.05600 201.5
[M]- 477.05710 201.5
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.