CID 33859

Brn 1409782

Structural Information

Molecular Formula
C17H13ClN4O5S
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C17H13ClN4O5S/c18-9-1-6-14-12(7-9)13(23)8-15(27-14)16(24)21-10-2-4-11(5-3-10)28(25,26)22-17(19)20/h1-8H,(H,21,24)(H4,19,20,22)
InChIKey
WMURJEAPJJBHNQ-UHFFFAOYSA-N
Compound name
6-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0295 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.03678 193.4
[M+Na]+ 443.01872 201.4
[M-H]- 419.02222 202.5
[M+NH4]+ 438.06332 203.2
[M+K]+ 458.99266 197.5
[M+H-H2O]+ 403.02676 185.8
[M+HCOO]- 465.02770 208.3
[M+CH3COO]- 479.04335 231.5
[M+Na-2H]- 441.00417 198.5
[M]+ 420.02895 197.9
[M]- 420.03005 197.9
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.