CID 505063

N,n,n',n'-tetramethyl-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-yl-propionyl)-amino]-isophthalamide

Structural Information

Molecular Formula
C30H29N5O4
SMILES
CN(C)C(=O)C1=CC(=CC(=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C(=O)N(C)C
InChI
InChI=1S/C30H29N5O4/c1-33(2)29(38)23-15-24(30(39)34(3)4)17-25(16-23)35(27(37)18-26(36)28-31-12-7-13-32-28)19-20-10-11-21-8-5-6-9-22(21)14-20/h5-17H,18-19H2,1-4H3
InChIKey
NQQDOSASBJMHCU-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetramethyl-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.222 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.22928 225.9
[M+Na]+ 546.21122 227.1
[M-H]- 522.21472 236.4
[M+NH4]+ 541.25582 229.0
[M+K]+ 562.18516 225.9
[M+H-H2O]+ 506.21926 212.3
[M+HCOO]- 568.22020 244.6
[M+CH3COO]- 582.23585 262.9
[M+Na-2H]- 544.19667 225.6
[M]+ 523.22145 230.1
[M]- 523.22255 230.1
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.