CID 25023705

N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide

Structural Information

Molecular Formula
C24H24N6O2
SMILES
CC(C)(CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C3=NC4=NC(=NC(=C4C=C3)N)N
InChI
InChI=1S/C24H24N6O2/c1-24(2,19-13-12-18-20(25)29-23(26)30-21(18)28-19)14-27-22(31)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,31)(H4,25,26,28,29,30)
InChIKey
FDJWFDQRPKKBFA-UHFFFAOYSA-N
Compound name
N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

428.19608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20336 204.8
[M+Na]+ 451.18530 210.6
[M-H]- 427.18880 210.7
[M+NH4]+ 446.22990 209.5
[M+K]+ 467.15924 204.0
[M+H-H2O]+ 411.19334 192.6
[M+HCOO]- 473.19428 222.2
[M+CH3COO]- 487.20993 211.8
[M+Na-2H]- 449.17075 210.8
[M]+ 428.19553 203.4
[M]- 428.19663 203.4
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

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