CID 5329032

Zd-4190

Structural Information

Molecular Formula
C19H16BrFN6O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCCN4C=CN=N4
InChI
InChI=1S/C19H16BrFN6O2/c1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21/h2-5,8-11H,6-7H2,1H3,(H,22,23,25)
InChIKey
YBTGTVGEKMZEQX-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

174
Patents

458.0502 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.05748 205.2
[M+Na]+ 481.03942 210.9
[M+NH4]+ 476.08402 206.8
[M+K]+ 497.01336 210.3
[M-H]- 457.04292 206.3
[M+Na-2H]- 479.02487 209.4
[M]+ 458.04965 205.2
[M]- 458.05075 205.2
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