CID 215634

((p-chlorophenyl)sulfonyl)phenylamidinoguanidine

Structural Information

Molecular Formula
C14H14ClN5O2S
SMILES
C1=CC(=CC=C1N(C(=N)N)C(=N)N)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClN5O2S/c15-9-1-5-11(6-2-9)23(21,22)12-7-3-10(4-8-12)20(13(16)17)14(18)19/h1-8H,(H3,16,17)(H3,18,19)
InChIKey
KAOWWASFSOZOGH-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-[4-(4-chlorophenyl)sulfonylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.05566 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06294 178.0
[M+Na]+ 374.04488 183.5
[M-H]- 350.04838 185.1
[M+NH4]+ 369.08948 190.4
[M+K]+ 390.01882 178.2
[M+H-H2O]+ 334.05292 170.6
[M+HCOO]- 396.05386 194.1
[M+CH3COO]- 410.06951 221.6
[M+Na-2H]- 372.03033 180.2
[M]+ 351.05511 176.2
[M]- 351.05621 176.2
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.