CID 3053893

70541-11-6

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
CC(C)(C#C)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H21ClN2O2/c1-5-21(2,3)23-14-19(25)24(4)18-12-11-16(22)13-17(18)20(26)15-9-7-6-8-10-15/h1,6-13,23H,14H2,2-4H3
InChIKey
QGERGOSMYYNFBW-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-(2-methylbut-3-yn-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 195.8
[M+Na]+ 391.11837 203.7
[M-H]- 367.12187 200.6
[M+NH4]+ 386.16297 206.9
[M+K]+ 407.09231 196.8
[M+H-H2O]+ 351.12641 182.2
[M+HCOO]- 413.12735 207.5
[M+CH3COO]- 427.14300 227.9
[M+Na-2H]- 389.10382 194.9
[M]+ 368.12860 193.0
[M]- 368.12970 193.0
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.