CID 374044

Nsc651240

Structural Information

Molecular Formula
C24H18N6O
SMILES
C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C4=NC(=C(C(=C4)C5=CC=CO5)C#N)N
InChI
InChI=1S/C24H18N6O/c25-13-18-17(22-6-3-11-31-22)12-21(30-24(18)26)15-7-9-16(10-8-15)27-14-23-28-19-4-1-2-5-20(19)29-23/h1-12,27H,14H2,(H2,26,30)(H,28,29)
InChIKey
IRJSZNZVJABASN-UHFFFAOYSA-N
Compound name
2-amino-6-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-4-(furan-2-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16148 199.4
[M+Na]+ 429.14342 210.2
[M-H]- 405.14692 205.2
[M+NH4]+ 424.18802 205.5
[M+K]+ 445.11736 199.6
[M+H-H2O]+ 389.15146 181.2
[M+HCOO]- 451.15240 215.9
[M+CH3COO]- 465.16805 206.2
[M+Na-2H]- 427.12887 200.0
[M]+ 406.15365 193.9
[M]- 406.15475 193.9
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.