CID 490674

4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methyl-amino]-n-(1-methylbutyl)benzamide

Structural Information

Molecular Formula
C21H27N7O
SMILES
CCCC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C21H27N7O/c1-4-5-13(2)24-20(29)14-6-9-16(10-7-14)28(3)12-15-8-11-17-18(25-15)19(22)27-21(23)26-17/h6-11,13H,4-5,12H2,1-3H3,(H,24,29)(H4,22,23,26,27)
InChIKey
BLOCIVWONFXVGH-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]-N-pentan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.22772 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23500 197.8
[M+Na]+ 416.21694 202.7
[M-H]- 392.22044 201.9
[M+NH4]+ 411.26154 205.0
[M+K]+ 432.19088 198.1
[M+H-H2O]+ 376.22498 186.3
[M+HCOO]- 438.22592 217.2
[M+CH3COO]- 452.24157 238.4
[M+Na-2H]- 414.20239 200.4
[M]+ 393.22717 197.3
[M]- 393.22827 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.