CID 392511

Nsc693028

Structural Information

Molecular Formula
C22H16N6O2
SMILES
COC1=CC(=NC(=N1)NC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N)OC
InChI
InChI=1S/C22H16N6O2/c1-29-18-11-19(30-2)26-22(25-18)27-20-13-7-3-5-9-16(13)28-17-10-6-4-8-15(17)24-21(28)14(20)12-23/h3-11H,1-2H3,(H,25,26,27)
InChIKey
PHLMRPAWBLWAKK-UHFFFAOYSA-N
Compound name
5-[(4,6-dimethoxypyrimidin-2-yl)amino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13348 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14076 196.4
[M+Na]+ 419.12270 210.1
[M-H]- 395.12620 198.5
[M+NH4]+ 414.16730 204.5
[M+K]+ 435.09664 199.2
[M+H-H2O]+ 379.13074 177.8
[M+HCOO]- 441.13168 211.6
[M+CH3COO]- 455.14733 204.0
[M+Na-2H]- 417.10815 202.1
[M]+ 396.13293 196.9
[M]- 396.13403 196.9
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.