CID 54404

79565-85-8

Structural Information

Molecular Formula
C23H29ClN2O3
SMILES
CCN(CC)CCOC(=O)C(C)(C)N(C1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H29ClN2O3/c1-5-25(6-2)16-17-29-22(28)23(3,4)26(20-14-12-19(24)13-15-20)21(27)18-10-8-7-9-11-18/h7-15H,5-6,16-17H2,1-4H3
InChIKey
UBAKDSCTIVHXQI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.18668 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19396 202.4
[M+Na]+ 439.17590 205.7
[M-H]- 415.17940 210.7
[M+NH4]+ 434.22050 213.8
[M+K]+ 455.14984 203.0
[M+H-H2O]+ 399.18394 193.6
[M+HCOO]- 461.18488 219.8
[M+CH3COO]- 475.20053 235.2
[M+Na-2H]- 437.16135 202.5
[M]+ 416.18613 209.7
[M]- 416.18723 209.7
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.