CID 10151204

574745-75-8

Structural Information

Molecular Formula
C25H20FN3O3
SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCC5=CC=CC=C5
InChI
InChI=1S/C25H20FN3O3/c1-15-10-17-19(29-15)8-9-21(24(17)26)32-25-18-11-22(30-2)23(12-20(18)27-14-28-25)31-13-16-6-4-3-5-7-16/h3-12,14,29H,13H2,1-2H3
InChIKey
FAUIFGUQBUATLA-UHFFFAOYSA-N
Compound name
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-phenylmethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

429.14886 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15614 204.9
[M+Na]+ 452.13808 215.5
[M-H]- 428.14158 211.0
[M+NH4]+ 447.18268 213.3
[M+K]+ 468.11202 207.3
[M+H-H2O]+ 412.14612 191.8
[M+HCOO]- 474.14706 221.6
[M+CH3COO]- 488.16271 213.6
[M+Na-2H]- 450.12353 207.5
[M]+ 429.14831 209.4
[M]- 429.14941 209.4
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

patents stripe