CID 133052758

1881218-32-1

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN(CCC(C1=CC=CC=C1)C2=CC=CC=N2)C=O
InChI
InChI=1S/C16H18N2O/c1-18(13-19)12-10-15(14-7-3-2-4-8-14)16-9-5-6-11-17-16/h2-9,11,13,15H,10,12H2,1H3
InChIKey
SXXHPCVDFDABHW-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-phenyl-3-pyridin-2-ylpropyl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.9
[M+Na]+ 277.13112 164.8
[M-H]- 253.13462 165.7
[M+NH4]+ 272.17572 175.1
[M+K]+ 293.10506 161.9
[M+H-H2O]+ 237.13916 150.5
[M+HCOO]- 299.14010 183.1
[M+CH3COO]- 313.15575 201.0
[M+Na-2H]- 275.11657 165.4
[M]+ 254.14135 160.7
[M]- 254.14245 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.