CID 501259

6-[(2,5-dimethoxycyclohexa-2,4-dien-1-yl)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CC3CC(=CC=C3OC)OC)N)N
InChI
InChI=1S/C17H21N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,8,10H,6-7H2,1-3H3,(H4,18,19,20,21,22)
InChIKey
KDDNPXGBRMOALM-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxycyclohexa-2,4-dien-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.16953 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 181.7
[M+Na]+ 350.15875 191.0
[M-H]- 326.16225 185.2
[M+NH4]+ 345.20335 192.3
[M+K]+ 366.13269 185.7
[M+H-H2O]+ 310.16679 171.2
[M+HCOO]- 372.16773 200.4
[M+CH3COO]- 386.18338 217.6
[M+Na-2H]- 348.14420 185.0
[M]+ 327.16898 182.6
[M]- 327.17008 182.6
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.