CID 3066786

Brn 5599036

Structural Information

Molecular Formula
C16H22ClN3O4
SMILES
CC(C)NCC(COC1=NC(=NC2=CC(=C(C=C21)OC)OC)Cl)O
InChI
InChI=1S/C16H22ClN3O4/c1-9(2)18-7-10(21)8-24-15-11-5-13(22-3)14(23-4)6-12(11)19-16(17)20-15/h5-6,9-10,18,21H,7-8H2,1-4H3
InChIKey
DILFQFIPRJZVJN-UHFFFAOYSA-N
Compound name
1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12988 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13716 181.1
[M+Na]+ 378.11910 192.9
[M+NH4]+ 373.16370 186.5
[M+K]+ 394.09304 187.6
[M-H]- 354.12260 181.3
[M+Na-2H]- 376.10455 184.3
[M]+ 355.12933 182.9
[M]- 355.13043 182.9
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.