CID 56924373

[(4-chlorophenyl)(pyrimidin-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C12H12ClN3
SMILES
CNC(C1=CC=C(C=C1)Cl)C2=NC=CC=N2
InChI
InChI=1S/C12H12ClN3/c1-14-11(12-15-7-2-8-16-12)9-3-5-10(13)6-4-9/h2-8,11,14H,1H3
InChIKey
USFVRQPENBTQNL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07926 150.5
[M+Na]+ 256.06120 166.0
[M+NH4]+ 251.10580 159.4
[M+K]+ 272.03514 157.7
[M-H]- 232.06470 155.1
[M+Na-2H]- 254.04665 161.0
[M]+ 233.07143 154.4
[M]- 233.07253 154.4
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.