CID 483683

4-carbamimidoyl-n-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]benzamide

Structural Information

Molecular Formula
C18H20N6O2
SMILES
C1=CC(=CC=C1C(=N)N)C(=O)NCCNC(=O)C2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C18H20N6O2/c19-15(20)11-1-5-13(6-2-11)17(25)23-9-10-24-18(26)14-7-3-12(4-8-14)16(21)22/h1-8H,9-10H2,(H3,19,20)(H3,21,22)(H,23,25)(H,24,26)
InChIKey
RZGCZADANXXZMW-UHFFFAOYSA-N
Compound name
4-carbamimidoyl-N-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.16476 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17204 182.7
[M+Na]+ 375.15398 184.2
[M-H]- 351.15748 188.1
[M+NH4]+ 370.19858 192.4
[M+K]+ 391.12792 181.1
[M+H-H2O]+ 335.16202 172.9
[M+HCOO]- 397.16296 207.5
[M+CH3COO]- 411.17861 230.5
[M+Na-2H]- 373.13943 183.1
[M]+ 352.16421 175.3
[M]- 352.16531 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.