CID 3069713

85063-17-8

Structural Information

Molecular Formula
C23H25N3O3
SMILES
C1CCC(CC1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4
InChI
InChI=1S/C23H25N3O3/c27-22(24-17-9-3-1-4-10-17)15-26-21(16-29-18-11-5-2-6-12-18)25-20-14-8-7-13-19(20)23(26)28/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,24,27)
InChIKey
ZRXDQZBAUYRSJY-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.0
[M+Na]+ 414.17882 208.9
[M+NH4]+ 409.22342 201.8
[M+K]+ 430.15276 200.3
[M-H]- 390.18232 200.8
[M+Na-2H]- 412.16427 203.4
[M]+ 391.18905 198.5
[M]- 391.19015 198.5
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.