CID 16741238

3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide

Structural Information

Molecular Formula
C25H30N4O2
SMILES
CN(C1CCCCC1)C(=O)CCN2CC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4)N=C2N
InChI
InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27)
InChIKey
KTRFBFMYAJOXLG-UHFFFAOYSA-N
Compound name
3-(2-amino-6-benzoyl-4H-quinazolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

418.23688 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24416 202.4
[M+Na]+ 441.22610 203.3
[M-H]- 417.22960 208.8
[M+NH4]+ 436.27070 209.0
[M+K]+ 457.20004 198.4
[M+H-H2O]+ 401.23414 189.8
[M+HCOO]- 463.23508 216.0
[M+CH3COO]- 477.25073 235.2
[M+Na-2H]- 439.21155 201.6
[M]+ 418.23633 196.6
[M]- 418.23743 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe