CID 135503852

4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinol

Structural Information

Molecular Formula
C15H11BrFN3O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)O
InChI
InChI=1S/C15H11BrFN3O2/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)
InChIKey
XIHOMGRMQWNHHB-UHFFFAOYSA-N
Compound name
4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

363.00186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.00914 173.0
[M+Na]+ 385.99108 185.6
[M-H]- 361.99458 178.6
[M+NH4]+ 381.03568 187.2
[M+K]+ 401.96502 172.4
[M+H-H2O]+ 345.99912 169.4
[M+HCOO]- 408.00006 190.4
[M+CH3COO]- 422.01571 185.3
[M+Na-2H]- 383.97653 180.1
[M]+ 363.00131 191.8
[M]- 363.00241 191.8
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