CID 53316792

918801-62-4

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1CC1N2C(=CN=C2N)C3=CC=CC=C3

InChI

InChI=1S/C12H13N3/c13-12-14-8-11(15(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,13,14)

InChIKey

TVEWLQKQZJCCPB-UHFFFAOYSA-N

Compound name

1-cyclopropyl-5-phenylimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 199.11095 Da
Monoisotopic Mass: 1.8
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]+	200.118226	143.8
[M+Na]+	222.100168	154.3
[M-H]-	198.103674	151.6
[M+NH4]+	217.144773	157.0
[M+K]+	238.074108	149.0
[M+H-H2O]+	182.108210	135.5
[M+HCOO]-	244.109151	168.1
[M+CH3COO]-	258.124801	156.7
[M+Na-2H]-	220.085616	148.7
[M]+	199.11040142	144.2
[M]-	199.11149858	144.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.