CID 5330175

476159-98-5

Structural Information

Molecular Formula
C23H27ClN4O3
SMILES
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=CC(=C4)OC)Cl)OC
InChI
InChI=1S/C23H27ClN4O3/c1-28-8-6-15(7-9-28)13-31-22-12-19-17(11-21(22)30-3)23(26-14-25-19)27-20-10-16(29-2)4-5-18(20)24/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,25,26,27)
InChIKey
WPOXAFXHRJYEIC-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

641
Patents

442.17715 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18443 207.9
[M+Na]+ 465.16637 214.6
[M-H]- 441.16987 213.4
[M+NH4]+ 460.21097 214.2
[M+K]+ 481.14031 208.1
[M+H-H2O]+ 425.17441 195.0
[M+HCOO]- 487.17535 218.3
[M+CH3COO]- 501.19100 215.0
[M+Na-2H]- 463.15182 209.5
[M]+ 442.17660 211.1
[M]- 442.17770 211.1
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