CID 480181

Chembl2311124

Structural Information

Molecular Formula
C19H20N6O2
SMILES
C1[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H20N6O2/c20-16(21)10-1-5-12(6-2-10)24-18(26)14-9-15(14)19(27)25-13-7-3-11(4-8-13)17(22)23/h1-8,14-15H,9H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27)/t14-,15-/m1/s1
InChIKey
OKHDHMIZVLFMSU-HUUCEWRRSA-N
Compound name
(1R,2R)-1-N,2-N-bis(4-carbamimidoylphenyl)cyclopropane-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.16476 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 172.1
[M+Na]+ 387.15398 176.3
[M-H]- 363.15748 181.5
[M+NH4]+ 382.19858 177.5
[M+K]+ 403.12792 171.1
[M+H-H2O]+ 347.16202 164.3
[M+HCOO]- 409.16296 197.7
[M+CH3COO]- 423.17861 234.4
[M+Na-2H]- 385.13943 173.5
[M]+ 364.16421 167.9
[M]- 364.16531 167.9
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.