CID 505221

3-[(4-amino-3,5-dichloro-phenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C24H23Cl2N5O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C(=C2)Cl)N)Cl)C(=O)CC(=O)C3=NC=CC(=N3)OC
InChI
InChI=1S/C24H23Cl2N5O4/c1-30(2)24(34)15-5-4-6-16(11-15)31(13-14-9-17(25)22(27)18(26)10-14)21(33)12-19(32)23-28-8-7-20(29-23)35-3/h4-11H,12-13,27H2,1-3H3
InChIKey
LSZUSDYFRFOHGW-UHFFFAOYSA-N
Compound name
3-[(4-amino-3,5-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.11273 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.12001 217.7
[M+Na]+ 538.10195 223.6
[M-H]- 514.10545 226.6
[M+NH4]+ 533.14655 222.4
[M+K]+ 554.07589 219.9
[M+H-H2O]+ 498.10999 207.0
[M+HCOO]- 560.11093 229.7
[M+CH3COO]- 574.12658 254.2
[M+Na-2H]- 536.08740 215.2
[M]+ 515.11218 225.9
[M]- 515.11328 225.9
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.