CID 9549295

286370-15-8

Structural Information

Molecular Formula
C20H21ClN4O4
SMILES
CCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)Cl
InChI
InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
InChIKey
VPBYZLCHOKSGRX-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

1131
Patents

416.12512 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13240 196.8
[M+Na]+ 439.11434 204.9
[M-H]- 415.11784 201.9
[M+NH4]+ 434.15894 205.9
[M+K]+ 455.08828 200.0
[M+H-H2O]+ 399.12238 186.5
[M+HCOO]- 461.12332 213.4
[M+CH3COO]- 475.13897 229.8
[M+Na-2H]- 437.09979 201.1
[M]+ 416.12457 204.7
[M]- 416.12567 204.7
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

No patent data available for this compound.