CID 72698953

2648939-95-9

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1CN2C(=CC(=N2)C3=CC=CC=C3)CN1

InChI

InChI=1S/C12H13N3/c1-2-4-10(5-3-1)12-8-11-9-13-6-7-15(11)14-12/h1-5,8,13H,6-7,9H2

InChIKey

NZEGJHAUPSTRJY-UHFFFAOYSA-N

Compound name

2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.11095 Da
Monoisotopic Mass: 1.0
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]+	200.11823	144.8
[M+Na]+	222.10017	158.4
[M+NH4]+	217.14477	153.8
[M+K]+	238.07411	152.6
[M-H]-	198.10367	147.7
[M+Na-2H]-	220.08562	152.5
[M]+	199.11040	147.5
[M]-	199.11150	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe