CID 9926999

Ly 456236 hydrochloride

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC
InChI
InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
InChIKey
XPJOMFBGKIABQW-UHFFFAOYSA-N
Compound name
6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

157
Patents

281.11642 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.6
[M+Na]+ 304.10564 180.6
[M+NH4]+ 299.15024 172.9
[M+K]+ 320.07958 172.3
[M-H]- 280.10914 169.6
[M+Na-2H]- 302.09109 174.4
[M]+ 281.11587 168.4
[M]- 281.11697 168.4
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