CID 49830258

Ml240

Structural Information

Molecular Formula
C23H20N6O
SMILES
COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4C5=CC=CC=C5N=C4N
InChI
InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28)
InChIKey
NHAMBLRUUJAFOY-UHFFFAOYSA-N
Compound name
2-(2-aminobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

60
Patents

396.16986 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.177136 194.2
[M+Na]+ 419.159078 204.2
[M-H]- 395.162584 201.2
[M+NH4]+ 414.203683 202.6
[M+K]+ 435.133018 195.5
[M+H-H2O]+ 379.167120 181.7
[M+HCOO]- 441.168061 214.2
[M+CH3COO]- 455.183711 203.3
[M+Na-2H]- 417.144526 200.9
[M]+ 396.16931142 196.4
[M]- 396.17040858 196.4
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.