CID 215635

((p-bromophenyl)sulfonyl)phenylamidinoguanidine

Structural Information

Molecular Formula
C14H14BrN5O2S
SMILES
C1=CC(=CC=C1N(C(=N)N)C(=N)N)S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H14BrN5O2S/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
BXOVPYHGUNSOMF-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)sulfonylphenyl]-1-carbamimidoylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.00516 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.01244 170.3
[M+Na]+ 417.99438 177.4
[M-H]- 393.99788 178.8
[M+NH4]+ 413.03898 183.4
[M+K]+ 433.96832 164.0
[M+H-H2O]+ 378.00242 165.7
[M+HCOO]- 440.00336 187.9
[M+CH3COO]- 454.01901 225.4
[M+Na-2H]- 415.97983 174.4
[M]+ 395.00461 184.1
[M]- 395.00571 184.1
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.