CID 505094

N-methyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]-n-propyl-benzamide

Structural Information

Molecular Formula
C29H28N4O3
SMILES
CCCN(C)C(=O)C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C29H28N4O3/c1-3-17-32(2)29(36)23-11-13-25(14-12-23)33(27(35)19-26(34)28-30-15-6-16-31-28)20-21-9-10-22-7-4-5-8-24(22)18-21/h4-16,18H,3,17,19-20H2,1-2H3
InChIKey
BGKLOHRROYEBGA-UHFFFAOYSA-N
Compound name
N-methyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.21616 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22344 218.1
[M+Na]+ 503.20538 219.9
[M-H]- 479.20888 226.9
[M+NH4]+ 498.24998 222.6
[M+K]+ 519.17932 216.0
[M+H-H2O]+ 463.21342 204.4
[M+HCOO]- 525.21436 236.2
[M+CH3COO]- 539.23001 249.0
[M+Na-2H]- 501.19083 219.3
[M]+ 480.21561 220.7
[M]- 480.21671 220.7
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.