CID 72210093

Tert-butyl 4-chloro-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5h)-carboxylate

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
CC1=NC2=C(CN(CC2)C(=O)OC(C)(C)C)C(=N1)Cl
InChI
InChI=1S/C13H18ClN3O2/c1-8-15-10-5-6-17(7-9(10)11(14)16-8)12(18)19-13(2,3)4/h5-7H2,1-4H3
InChIKey
IKFYSIXMIISJDO-UHFFFAOYSA-N
Compound name
tert-butyl 4-chloro-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.10876 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 165.8
[M+Na]+ 306.09798 174.8
[M-H]- 282.10148 166.1
[M+NH4]+ 301.14258 180.1
[M+K]+ 322.07192 170.9
[M+H-H2O]+ 266.10602 158.2
[M+HCOO]- 328.10696 175.3
[M+CH3COO]- 342.12261 199.4
[M+Na-2H]- 304.08343 170.1
[M]+ 283.10821 168.4
[M]- 283.10931 168.4
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