CID 505022

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

Structural Information

Molecular Formula
C30H31N5O3
SMILES
CN(C)CCN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4
InChI
InChI=1S/C30H31N5O3/c1-33(2)16-17-34(3)30(38)25-10-6-11-26(19-25)35(28(37)20-27(36)29-31-14-7-15-32-29)21-22-12-13-23-8-4-5-9-24(23)18-22/h4-15,18-19H,16-17,20-21H2,1-3H3
InChIKey
QUBPUNJZYIKNFW-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-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

509.24268 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.24996 224.7
[M+Na]+ 532.23190 225.2
[M-H]- 508.23540 234.6
[M+NH4]+ 527.27650 228.2
[M+K]+ 548.20584 222.8
[M+H-H2O]+ 492.23994 210.5
[M+HCOO]- 554.24088 243.9
[M+CH3COO]- 568.25653 259.9
[M+Na-2H]- 530.21735 225.7
[M]+ 509.24213 228.3
[M]- 509.24323 228.3
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.