CID 77451

Einecs 223-338-2

Structural Information

Molecular Formula
C17H14ClN5O4S
SMILES
CNS(=O)(=O)C1=CC=CC2=C1C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N
InChI
InChI=1S/C17H14ClN5O4S/c1-20-28(26,27)16-4-2-3-12-11(16)6-7-14(19)17(12)22-21-15-8-5-10(23(24)25)9-13(15)18/h2-9,20H,19H2,1H3
InChIKey
GPBGNHRBAZSRJF-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylnaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

419.0455 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05278 190.6
[M+Na]+ 442.03472 197.2
[M-H]- 418.03822 200.1
[M+NH4]+ 437.07932 201.6
[M+K]+ 458.00866 187.9
[M+H-H2O]+ 402.04276 186.6
[M+HCOO]- 464.04370 209.8
[M+CH3COO]- 478.05935 228.7
[M+Na-2H]- 440.02017 199.6
[M]+ 419.04495 193.8
[M]- 419.04605 193.8
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