CID 670006

(2r)-2-phenyl-n-pyridin-4-ylbutanamide

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC[C@H](C1=CC=CC=C1)C(=O)NC2=CC=NC=C2
InChI
InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/t14-/m1/s1
InChIKey
MODBYAQUXXEFRM-CQSZACIVSA-N
Compound name
(2R)-2-phenyl-N-pyridin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.7
[M+Na]+ 263.11549 160.7
[M-H]- 239.11899 160.4
[M+NH4]+ 258.16009 170.9
[M+K]+ 279.08943 157.2
[M+H-H2O]+ 223.12353 146.9
[M+HCOO]- 285.12447 177.9
[M+CH3COO]- 299.14012 194.7
[M+Na-2H]- 261.10094 161.3
[M]+ 240.12572 154.2
[M]- 240.12682 154.2
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

patents stripe