CID 456306

Chembl284544

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CCC3=C(C=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C18H21N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h6-9H,4-5H2,1-3H3,(H4,19,20,21,22,23)
InChIKey
VRAFZGTXFNQHGJ-UHFFFAOYSA-N
Compound name
6-[2-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

339.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.176806 185.2
[M+Na]+ 362.158748 195.0
[M-H]- 338.162254 188.9
[M+NH4]+ 357.203353 195.3
[M+K]+ 378.132688 189.3
[M+H-H2O]+ 322.166790 174.5
[M+HCOO]- 384.167731 204.9
[M+CH3COO]- 398.183381 220.2
[M+Na-2H]- 360.144196 189.0
[M]+ 339.16898142 187.8
[M]- 339.17007858 187.8
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.