CID 505109

2-chloro-n,n-dimethyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide

Structural Information

Molecular Formula
C27H23ClN4O3
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)Cl
InChI
InChI=1S/C27H23ClN4O3/c1-31(2)27(35)22-11-10-21(15-23(22)28)32(25(34)16-24(33)26-29-12-5-13-30-26)17-18-8-9-19-6-3-4-7-20(19)14-18/h3-15H,16-17H2,1-2H3
InChIKey
WBMZYPGWWJGICC-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-4-[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

486.14587 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.15315 214.9
[M+Na]+ 509.13509 219.4
[M-H]- 485.13859 224.4
[M+NH4]+ 504.17969 220.6
[M+K]+ 525.10903 214.7
[M+H-H2O]+ 469.14313 202.3
[M+HCOO]- 531.14407 229.4
[M+CH3COO]- 545.15972 247.8
[M+Na-2H]- 507.12054 216.2
[M]+ 486.14532 220.3
[M]- 486.14642 220.3
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.