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]+ 356.137156 180.2
[M+Na]+ 378.119098 187.9
[M-H]- 354.122604 180.8
[M+NH4]+ 373.163703 191.8
[M+K]+ 394.093038 184.4
[M+H-H2O]+ 338.127140 172.4
[M+HCOO]- 400.128081 193.4
[M+CH3COO]- 414.143731 216.1
[M+Na-2H]- 376.104546 182.7
[M]+ 355.12933142 188.0
[M]- 355.13042858 188.0
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.