CID 505005

N-isopentyl-n-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CC(C)CCN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C3=NC=CC=N3
InChI
InChI=1S/C23H25N3O2/c1-17(2)10-13-26(22(28)15-21(27)23-24-11-5-12-25-23)16-18-8-9-19-6-3-4-7-20(19)14-18/h3-9,11-12,14,17H,10,13,15-16H2,1-2H3
InChIKey
GOZDFXFIUOTEMZ-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 192.9
[M+Na]+ 398.18389 196.3
[M-H]- 374.18739 197.7
[M+NH4]+ 393.22849 202.3
[M+K]+ 414.15783 192.1
[M+H-H2O]+ 358.19193 181.5
[M+HCOO]- 420.19287 210.3
[M+CH3COO]- 434.20852 225.5
[M+Na-2H]- 396.16934 195.2
[M]+ 375.19412 194.9
[M]- 375.19522 194.9
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.