CID 178230

134999-89-6

Structural Information

Molecular Formula
C19H21N3O
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=N3
InChI
InChI=1S/C19H21N3O/c1-19(2,3)15-8-6-14(7-9-15)10-12-23-18-16-5-4-11-20-17(16)21-13-22-18/h4-9,11,13H,10,12H2,1-3H3
InChIKey
ZGYFEUNXDPAHGQ-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)ethoxy]pyrido[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.16846 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.175736 177.9
[M+Na]+ 330.157678 185.9
[M-H]- 306.161184 181.1
[M+NH4]+ 325.202283 189.5
[M+K]+ 346.131618 180.3
[M+H-H2O]+ 290.165720 167.2
[M+HCOO]- 352.166661 194.6
[M+CH3COO]- 366.182311 206.8
[M+Na-2H]- 328.143126 185.6
[M]+ 307.16791142 180.2
[M]- 307.16900858 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe