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]+ 396.20302 195.9
[M+Na]+ 418.18496 207.5
[M+NH4]+ 413.22956 201.2
[M+K]+ 434.15890 201.2
[M-H]- 394.18846 200.4
[M+Na-2H]- 416.17041 202.3
[M]+ 395.19519 198.5
[M]- 395.19629 198.5
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.