CID 3076916

132764-69-3

Structural Information

Molecular Formula
C22H24N6O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)N)OC
InChI
InChI=1S/C22H24N6O3/c1-30-18-11-14-16(12-19(18)31-2)24-21(26-20(14)23)27-9-7-13(8-10-27)28-17-6-4-3-5-15(17)25-22(28)29/h3-6,11-13H,7-10H2,1-2H3,(H,25,29)(H2,23,24,26)
InChIKey
MSBRYSXEBYRJQO-UHFFFAOYSA-N
Compound name
3-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.19098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19826 203.6
[M+Na]+ 443.18020 212.8
[M-H]- 419.18370 207.8
[M+NH4]+ 438.22480 209.3
[M+K]+ 459.15414 204.8
[M+H-H2O]+ 403.18824 191.0
[M+HCOO]- 465.18918 216.1
[M+CH3COO]- 479.20483 210.7
[M+Na-2H]- 441.16565 204.7
[M]+ 420.19043 203.4
[M]- 420.19153 203.4
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

patents stripe