CID 9574603

1-(4-phenylphenyl)-n-pyrimidin-2-yl-methanimine

Structural Information

Molecular Formula
C17H13N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/C3=NC=CC=N3
InChI
InChI=1S/C17H13N3/c1-2-5-15(6-3-1)16-9-7-14(8-10-16)13-20-17-18-11-4-12-19-17/h1-13H/b20-13+
InChIKey
RXFNULQZZKPIRV-DEDYPNTBSA-N
Compound name
(E)-1-(4-phenylphenyl)-N-pyrimidin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11824 159.4
[M+Na]+ 282.10018 167.0
[M-H]- 258.10368 167.4
[M+NH4]+ 277.14478 173.0
[M+K]+ 298.07412 161.1
[M+H-H2O]+ 242.10822 148.3
[M+HCOO]- 304.10916 184.0
[M+CH3COO]- 318.12481 171.2
[M+Na-2H]- 280.08563 168.7
[M]+ 259.11041 158.4
[M]- 259.11151 158.4
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.