CID 239792

120983-26-8

Structural Information

Molecular Formula
C17H13ClN4O4S
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C17H13ClN4O4S/c18-13-14(16(24)12-4-2-1-3-11(12)15(13)23)21-9-5-7-10(8-6-9)27(25,26)22-17(19)20/h1-8,21H,(H4,19,20,22)
InChIKey
HDAHOTIPDUBLMJ-UHFFFAOYSA-N
Compound name
2-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

404.0346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04188 188.6
[M+Na]+ 427.02382 196.8
[M-H]- 403.02732 196.7
[M+NH4]+ 422.06842 200.6
[M+K]+ 442.99776 190.9
[M+H-H2O]+ 387.03186 181.4
[M+HCOO]- 449.03280 203.7
[M+CH3COO]- 463.04845 230.0
[M+Na-2H]- 425.00927 192.5
[M]+ 404.03405 190.9
[M]- 404.03515 190.9
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

patents stripe