CID 217093

Crl 41352

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC1=NCC(CN1)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c1-9-12-7-11(8-13-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,12,13)

InChIKey

YVCZMKLZPXLMIH-UHFFFAOYSA-N

Compound name

2-methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.11569 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]+	175.12297	138.8
[M+Na]+	197.10491	145.3
[M-H]-	173.10841	140.9
[M+NH4]+	192.14951	155.4
[M+K]+	213.07885	141.2
[M+H-H2O]+	157.11295	130.7
[M+HCOO]-	219.11389	157.2
[M+CH3COO]-	233.12954	150.5
[M+Na-2H]-	195.09036	145.5
[M]+	174.11514	133.5
[M]-	174.11624	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe