CID 59678639

M1 2-oxy-fenazaquin

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=NC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O2/c1-20(2,3)15-10-8-14(9-11-15)12-13-24-18-16-6-4-5-7-17(16)21-19(23)22-18/h4-11H,12-13H2,1-3H3,(H,21,22,23)
InChIKey
JJUJLRHMWLROQJ-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)ethoxy]-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

39
Patents

322.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 180.2
[M+Na]+ 345.15734 188.4
[M-H]- 321.16084 183.7
[M+NH4]+ 340.20194 192.1
[M+K]+ 361.13128 182.2
[M+H-H2O]+ 305.16538 170.6
[M+HCOO]- 367.16632 196.8
[M+CH3COO]- 381.18197 207.1
[M+Na-2H]- 343.14279 186.2
[M]+ 322.16757 181.7
[M]- 322.16867 181.7
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