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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 139.5
[M+Na]+ 197.10491 153.7
[M+NH4]+ 192.14951 148.6
[M+K]+ 213.07885 145.9
[M-H]- 173.10841 143.2
[M+Na-2H]- 195.09036 148.5
[M]+ 174.11514 142.6
[M]- 174.11624 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe