CID 3069711

85063-15-6

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
C1CCC(CC1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4Cl
InChI
InChI=1S/C23H24ClN3O3/c24-18-11-5-7-13-20(18)30-15-21-26-19-12-6-4-10-17(19)23(29)27(21)14-22(28)25-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,25,28)
InChIKey
MQHLPMREFUIAFH-UHFFFAOYSA-N
Compound name
2-[2-[(2-chlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1506 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 200.3
[M+Na]+ 448.13982 205.7
[M-H]- 424.14332 206.7
[M+NH4]+ 443.18442 208.1
[M+K]+ 464.11376 198.7
[M+H-H2O]+ 408.14786 188.4
[M+HCOO]- 470.14880 211.7
[M+CH3COO]- 484.16445 207.6
[M+Na-2H]- 446.12527 202.3
[M]+ 425.15005 200.4
[M]- 425.15115 200.4
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.