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]+ 308.17574 177.9
[M+Na]+ 330.15768 185.9
[M-H]- 306.16118 181.1
[M+NH4]+ 325.20228 189.5
[M+K]+ 346.13162 180.3
[M+H-H2O]+ 290.16572 167.2
[M+HCOO]- 352.16666 194.6
[M+CH3COO]- 366.18231 206.8
[M+Na-2H]- 328.14313 185.6
[M]+ 307.16791 180.2
[M]- 307.16901 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