CID 505092

N-(3-hydroxy-propyl)-n-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-yl-propionyl)-amino]-benzamide

Structural Information

Molecular Formula
C29H28N4O4
SMILES
CN(CCCO)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C29H28N4O4/c1-32(15-6-16-34)29(37)24-9-4-10-25(18-24)33(27(36)19-26(35)28-30-13-5-14-31-28)20-21-11-12-22-7-2-3-8-23(22)17-21/h2-5,7-14,17-18,34H,6,15-16,19-20H2,1H3
InChIKey
ONEOTEQMPPZHJM-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)-N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.21106 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.21834 219.6
[M+Na]+ 519.20028 220.6
[M-H]- 495.20378 227.1
[M+NH4]+ 514.24488 222.6
[M+K]+ 535.17422 217.0
[M+H-H2O]+ 479.20832 206.1
[M+HCOO]- 541.20926 236.4
[M+CH3COO]- 555.22491 249.0
[M+Na-2H]- 517.18573 220.8
[M]+ 496.21051 221.8
[M]- 496.21161 221.8
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.