CID 499196

Chembl2006769

Structural Information

Molecular Formula
C12H17N2
SMILES
CN1CCC[N+](=C1C2=CC=CC=C2)C
InChI
InChI=1S/C12H17N2/c1-13-9-6-10-14(2)12(13)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3/q+1
InChIKey
AIBAUGNKLLDVII-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13918 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14646 144.3
[M+Na]+ 212.12840 151.5
[M-H]- 188.13190 148.3
[M+NH4]+ 207.17300 161.0
[M+K]+ 228.10234 142.8
[M+H-H2O]+ 172.13644 138.6
[M+HCOO]- 234.13738 163.5
[M+CH3COO]- 248.15303 177.8
[M+Na-2H]- 210.11385 152.3
[M]+ 189.13863 140.3
[M]- 189.13973 140.3
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

No patent data available for this compound.