CID 3049728

65189-49-3

Structural Information

Molecular Formula
C21H25N5O3
SMILES
CN(CCCNC(=O)C1=CC=CC=C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C21H25N5O3/c1-26(11-7-10-23-20(27)14-8-5-4-6-9-14)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,(H,23,27)(H2,22,24,25)
InChIKey
MSWPIQSFWSHEJV-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.19574 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20302 195.7
[M+Na]+ 418.18496 201.1
[M-H]- 394.18846 201.3
[M+NH4]+ 413.22956 204.5
[M+K]+ 434.15890 197.8
[M+H-H2O]+ 378.19300 184.2
[M+HCOO]- 440.19394 217.3
[M+CH3COO]- 454.20959 234.3
[M+Na-2H]- 416.17041 199.5
[M]+ 395.19519 199.4
[M]- 395.19629 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.