CID 3061021

78534-19-7

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

C1C(CN=C(N1)N)C2=CC=CC=C2

InChI

InChI=1S/C10H13N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)

InChIKey

BOTTZUQJTYCKHU-UHFFFAOYSA-N

Compound name

5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 175.11095 Da
Monoisotopic Mass: 0.4
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]+	176.11823	138.4
[M+Na]+	198.10017	144.5
[M-H]-	174.10367	140.1
[M+NH4]+	193.14477	154.3
[M+K]+	214.07411	140.1
[M+H-H2O]+	158.10821	130.1
[M+HCOO]-	220.10915	157.5
[M+CH3COO]-	234.12480	149.7
[M+Na-2H]-	196.08562	145.0
[M]+	175.11040	131.1
[M]-	175.11150	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe