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]+ 340.17681 185.2
[M+Na]+ 362.15875 195.0
[M-H]- 338.16225 188.9
[M+NH4]+ 357.20335 195.3
[M+K]+ 378.13269 189.3
[M+H-H2O]+ 322.16679 174.5
[M+HCOO]- 384.16773 204.9
[M+CH3COO]- 398.18338 220.2
[M+Na-2H]- 360.14420 189.0
[M]+ 339.16898 187.8
[M]- 339.17008 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.