CID 3086760

111910-09-9

Structural Information

Molecular Formula
C18H21ClN4O4S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)Cl
InChI
InChI=1S/C18H21ClN4O4S/c1-3-23(4-2)28(25,26)16-10-9-14(11-15(16)19)27-17(24)12-5-7-13(8-6-12)22-18(20)21/h5-11H,3-4H2,1-2H3,(H4,20,21,22)
InChIKey
DIVVCLHXFDSGQX-UHFFFAOYSA-N
Compound name
[3-chloro-4-(diethylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10448 196.8
[M+Na]+ 447.08642 205.1
[M+NH4]+ 442.13102 201.4
[M+K]+ 463.06036 199.2
[M-H]- 423.08992 200.2
[M+Na-2H]- 445.07187 202.2
[M]+ 424.09665 199.3
[M]- 424.09775 199.3
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.