CID 64098

Chi 101

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)COC4=C(C=C(C=C4)CC=C)OC
InChI
InChI=1S/C26H24N2O3/c1-4-9-19-14-15-23(24(16-19)30-3)31-17-25-27-21-12-7-6-11-20(21)26(29)28(25)22-13-8-5-10-18(22)2/h4-8,10-16H,1,9,17H2,2-3H3
InChIKey
TYEZLALBNAXBHR-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 204.5
[M+Na]+ 435.16790 213.7
[M-H]- 411.17140 212.5
[M+NH4]+ 430.21250 212.9
[M+K]+ 451.14184 206.3
[M+H-H2O]+ 395.17594 191.7
[M+HCOO]- 457.17688 223.3
[M+CH3COO]- 471.19253 213.6
[M+Na-2H]- 433.15335 206.8
[M]+ 412.17813 209.1
[M]- 412.17923 209.1
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.