CID 146155035

2416229-39-3

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₂

SMILES

CC1=NN2CCCNC2=C1NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H20N4O2/c1-8-9(14-11(17)18-12(2,3)4)10-13-6-5-7-16(10)15-8/h13H,5-7H2,1-4H3,(H,14,17)

InChIKey

LFRCLLVZKQZECJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.15863 Da
Monoisotopic Mass: 1.6
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]+	253.165906	161.9
[M+Na]+	275.147848	168.3
[M-H]-	251.151354	160.9
[M+NH4]+	270.192453	177.2
[M+K]+	291.121788	165.7
[M+H-H2O]+	235.155890	154.4
[M+HCOO]-	297.156831	176.8
[M+CH3COO]-	311.172481	193.9
[M+Na-2H]-	273.133296	165.3
[M]+	252.15808142	160.1
[M]-	252.15917858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.