CID 462459

N-[(4-phenylphenyl)methyl]pyrimidin-2-amine

Structural Information

Molecular Formula
C17H15N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=NC=CC=N3
InChI
InChI=1S/C17H15N3/c1-2-5-15(6-3-1)16-9-7-14(8-10-16)13-20-17-18-11-4-12-19-17/h1-12H,13H2,(H,18,19,20)
InChIKey
QPCWDZYJAUHGJC-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)methyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 159.8
[M+Na]+ 284.11582 166.5
[M-H]- 260.11932 166.3
[M+NH4]+ 279.16042 172.5
[M+K]+ 300.08976 160.3
[M+H-H2O]+ 244.12386 149.0
[M+HCOO]- 306.12480 182.7
[M+CH3COO]- 320.14045 170.8
[M+Na-2H]- 282.10127 168.8
[M]+ 261.12605 157.7
[M]- 261.12715 157.7
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.