CID 3049730

65189-50-6

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CCN(CCCN(C)C(=O)C1=CC=CC=C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C23H29N5O3/c1-5-28(13-9-12-27(2)22(29)16-10-7-6-8-11-16)23-25-18-15-20(31-4)19(30-3)14-17(18)21(24)26-23/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3,(H2,24,25,26)
InChIKey
MDBPDXNVGULPBM-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]propyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.22705 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 205.2
[M+Na]+ 446.21627 209.8
[M-H]- 422.21977 211.9
[M+NH4]+ 441.26087 213.4
[M+K]+ 462.19021 207.5
[M+H-H2O]+ 406.22431 193.2
[M+HCOO]- 468.22525 226.6
[M+CH3COO]- 482.24090 243.3
[M+Na-2H]- 444.20172 207.3
[M]+ 423.22650 210.8
[M]- 423.22760 210.8
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.