CID 209835

Brn 2194113

Structural Information

Molecular Formula
C16H18N8O4S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N=C(N)N
InChI
InChI=1S/C16H18N8O4S/c17-13(18)23-15(25)21-9-1-5-11(6-2-9)29(27,28)12-7-3-10(4-8-12)22-16(26)24-14(19)20/h1-8H,(H5,17,18,21,23,25)(H5,19,20,22,24,26)
InChIKey
XHBNJNZHZAJNFP-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-[4-[4-(diaminomethylidenecarbamoylamino)phenyl]sulfonylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1172 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12448 189.3
[M+Na]+ 441.10642 190.7
[M+NH4]+ 436.15102 190.8
[M+K]+ 457.08036 189.2
[M-H]- 417.10992 192.3
[M+Na-2H]- 439.09187 193.0
[M]+ 418.11665 189.5
[M]- 418.11775 189.5
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.