CID 3010585

Chembl165317

Structural Information

Molecular Formula
C19H17N5O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C19H17N5O2/c20-17(21)12-3-6-15-13(9-12)10-16(26-15)19(25)24-14-4-1-11(2-5-14)18-22-7-8-23-18/h1-6,9-10H,7-8H2,(H3,20,21)(H,22,23)(H,24,25)
InChIKey
JZUPSYRQUPEFFH-UHFFFAOYSA-N
Compound name
5-carbamimidoyl-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.1382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 177.5
[M+Na]+ 370.12742 183.7
[M-H]- 346.13092 185.9
[M+NH4]+ 365.17202 188.9
[M+K]+ 386.10136 179.0
[M+H-H2O]+ 330.13546 168.6
[M+HCOO]- 392.13640 199.2
[M+CH3COO]- 406.15205 187.5
[M+Na-2H]- 368.11287 179.9
[M]+ 347.13765 174.9
[M]- 347.13875 174.9
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.