CID 4477129

N-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide

Structural Information

Molecular Formula
C17H15N5O3S2
SMILES
CNS(=O)(=O)CC1=CC=C(C=C1)N=NC2=C(NC3=C2C4=C(C=C3)N=CS4)O
InChI
InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,20,23H,8H2,1H3
InChIKey
DGGPZPWZNMDOFP-UHFFFAOYSA-N
Compound name
1-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)diazenyl]phenyl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

401.06165 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06893 188.2
[M+Na]+ 424.05087 200.4
[M-H]- 400.05437 196.1
[M+NH4]+ 419.09547 202.8
[M+K]+ 440.02481 193.7
[M+H-H2O]+ 384.05891 182.5
[M+HCOO]- 446.05985 205.4
[M+CH3COO]- 460.07550 199.4
[M+Na-2H]- 422.03632 195.2
[M]+ 401.06110 196.5
[M]- 401.06220 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe