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 180.2
[M+Na]+ 378.11910 187.9
[M-H]- 354.12260 180.8
[M+NH4]+ 373.16370 191.8
[M+K]+ 394.09304 184.4
[M+H-H2O]+ 338.12714 172.4
[M+HCOO]- 400.12808 193.4
[M+CH3COO]- 414.14373 216.1
[M+Na-2H]- 376.10455 182.7
[M]+ 355.12933 188.0
[M]- 355.13043 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.