CID 490677

[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methyl-amino]phenyl]-morpholino-methanone

Structural Information

Molecular Formula
C20H23N7O2
SMILES
CN(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N4CCOCC4
InChI
InChI=1S/C20H23N7O2/c1-26(12-14-4-7-16-17(23-14)18(21)25-20(22)24-16)15-5-2-13(3-6-15)19(28)27-8-10-29-11-9-27/h2-7H,8-12H2,1H3,(H4,21,22,24,25)
InChIKey
QICSPMBITJCCBM-UHFFFAOYSA-N
Compound name
[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1913 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19858 196.4
[M+Na]+ 416.18052 201.2
[M-H]- 392.18402 202.2
[M+NH4]+ 411.22512 200.3
[M+K]+ 432.15446 196.9
[M+H-H2O]+ 376.18856 183.1
[M+HCOO]- 438.18950 210.8
[M+CH3COO]- 452.20515 203.2
[M+Na-2H]- 414.16597 199.9
[M]+ 393.19075 192.4
[M]- 393.19185 192.4
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

No patent data available for this compound.