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]+ 234.079256 149.7
[M+Na]+ 256.061198 157.7
[M-H]- 232.064704 153.4
[M+NH4]+ 251.105803 165.1
[M+K]+ 272.035138 152.4
[M+H-H2O]+ 216.069240 141.2
[M+HCOO]- 278.070181 167.4
[M+CH3COO]- 292.085831 161.6
[M+Na-2H]- 254.046646 157.1
[M]+ 233.07143142 150.2
[M]- 233.07252858 150.2
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.