CID 457308

N-cyclohexyl-4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methyl-amino]benzamide

Structural Information

Molecular Formula
C22H27N7O
SMILES
CN(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC4CCCCC4
InChI
InChI=1S/C22H27N7O/c1-29(13-16-9-12-18-19(25-16)20(23)28-22(24)27-18)17-10-7-14(8-11-17)21(30)26-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,26,30)(H4,23,24,27,28)
InChIKey
FMMZIKJYEMMHLQ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.22772 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.23500 195.8
[M+Na]+ 428.21694 198.8
[M-H]- 404.22044 201.9
[M+NH4]+ 423.26154 201.6
[M+K]+ 444.19088 193.4
[M+H-H2O]+ 388.22498 183.2
[M+HCOO]- 450.22592 212.9
[M+CH3COO]- 464.24157 202.3
[M+Na-2H]- 426.20239 199.1
[M]+ 405.22717 189.6
[M]- 405.22827 189.6
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.