CID 374043

Nsc651239

Structural Information

Molecular Formula
C24H17N5O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C4=C(C(=O)NC(=C4)C5=CC=CO5)C#N
InChI
InChI=1S/C24H17N5O2/c25-13-18-17(12-21(29-24(18)30)22-6-3-11-31-22)15-7-9-16(10-8-15)26-14-23-27-19-4-1-2-5-20(19)28-23/h1-12,26H,14H2,(H,27,28)(H,29,30)
InChIKey
BQFROSZHBZSVMS-UHFFFAOYSA-N
Compound name
4-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1382 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14548 199.9
[M+Na]+ 430.12742 211.3
[M-H]- 406.13092 205.2
[M+NH4]+ 425.17202 205.8
[M+K]+ 446.10136 200.2
[M+H-H2O]+ 390.13546 182.1
[M+HCOO]- 452.13640 215.1
[M+CH3COO]- 466.15205 206.8
[M+Na-2H]- 428.11287 200.2
[M]+ 407.13765 194.7
[M]- 407.13875 194.7
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.