CID 5328127

192705-79-6

Structural Information

Molecular Formula
C20H24N6O3
SMILES
CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)N)C3=CC(=CC(=C3)OC)OC
InChI
InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
InChIKey
NHJSWORVNIOXIT-UHFFFAOYSA-N
Compound name
1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

576
Patents

396.19098 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19826 199.0
[M+Na]+ 419.18020 206.3
[M-H]- 395.18370 203.0
[M+NH4]+ 414.22480 206.4
[M+K]+ 435.15414 202.1
[M+H-H2O]+ 379.18824 188.3
[M+HCOO]- 441.18918 217.4
[M+CH3COO]- 455.20483 231.7
[M+Na-2H]- 417.16565 204.4
[M]+ 396.19043 201.5
[M]- 396.19153 201.5
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

patents stripe