CID 75487617

1395079-01-2

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=CN=C(N=C2C1)N

InChI

InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-8-6-14-10(13)15-9(8)7-16/h6H,4-5,7H2,1-3H3,(H2,13,14,15)

InChIKey

NAGPTLKYUQPBNW-UHFFFAOYSA-N

Compound name

tert-butyl 2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 250.14297 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.150246	160.7
[M+Na]+	273.132188	167.8
[M-H]-	249.135694	160.5
[M+NH4]+	268.176793	174.6
[M+K]+	289.106128	165.3
[M+H-H2O]+	233.140230	152.5
[M+HCOO]-	295.141171	175.7
[M+CH3COO]-	309.156821	195.9
[M+Na-2H]-	271.117636	166.2
[M]+	250.14242142	159.0
[M]-	250.14351858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe