CID 3044219

Brn 3065914

Structural Information

Molecular Formula
C9H12ClN5O2S
SMILES
C1=CC(=CC=C1N(C(=N)N)C(=N)N)S(=O)(=O)CCl
InChI
InChI=1S/C9H12ClN5O2S/c10-5-18(16,17)7-3-1-6(2-4-7)15(8(11)12)9(13)14/h1-4H,5H2,(H3,11,12)(H3,13,14)
InChIKey
LNNZCHPSKOJMGT-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-[4-(chloromethylsulfonyl)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.04 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04728 162.0
[M+Na]+ 312.02922 167.5
[M+NH4]+ 307.07382 167.1
[M+K]+ 328.00316 163.5
[M-H]- 288.03272 163.3
[M+Na-2H]- 310.01467 165.5
[M]+ 289.03945 163.2
[M]- 289.04055 163.2
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.