CID 72941791

Bm-113

Structural Information

Molecular Formula
C19H28N6O2S
SMILES
C1CCC(CC1)NC2=C(C=NC=C2)S(=O)(=O)NC(=NC3CCCCC3)NC#N
InChI
InChI=1S/C19H28N6O2S/c20-14-22-19(24-16-9-5-2-6-10-16)25-28(26,27)18-13-21-12-11-17(18)23-15-7-3-1-4-8-15/h11-13,15-16H,1-10H2,(H,21,23)(H2,22,24,25)
InChIKey
XLBWPHZAHLZGNJ-UHFFFAOYSA-N
Compound name
1-cyano-2-cyclohexyl-3-[4-(cyclohexylamino)pyridin-3-yl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20671 197.6
[M+Na]+ 427.18865 199.2
[M-H]- 403.19215 202.4
[M+NH4]+ 422.23325 204.4
[M+K]+ 443.16259 193.7
[M+H-H2O]+ 387.19669 181.2
[M+HCOO]- 449.19763 207.1
[M+CH3COO]- 463.21328 235.1
[M+Na-2H]- 425.17410 199.2
[M]+ 404.19888 184.5
[M]- 404.19998 184.5
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.