CID 3049726

65189-31-3

Structural Information

Molecular Formula
C21H25N5O3
SMILES
CN(CCCNC1=NC2=CC(=C(C=C2C(=N1)N)OC)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25N5O3/c1-26(20(27)14-8-5-4-6-9-14)11-7-10-23-21-24-16-13-18(29-3)17(28-2)12-15(16)19(22)25-21/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H3,22,23,24,25)
InChIKey
PDKUMHZLABSFTR-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19574 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.203016 195.7
[M+Na]+ 418.184958 201.1
[M-H]- 394.188464 201.3
[M+NH4]+ 413.229563 204.5
[M+K]+ 434.158898 197.8
[M+H-H2O]+ 378.193000 184.2
[M+HCOO]- 440.193941 217.3
[M+CH3COO]- 454.209591 234.3
[M+Na-2H]- 416.170406 199.5
[M]+ 395.19519142 199.4
[M]- 395.19628858 199.4
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.