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]+ 369.136426 195.8
[M+Na]+ 391.118368 203.7
[M-H]- 367.121874 200.6
[M+NH4]+ 386.162973 206.9
[M+K]+ 407.092308 196.8
[M+H-H2O]+ 351.126410 182.2
[M+HCOO]- 413.127351 207.5
[M+CH3COO]- 427.143001 227.9
[M+Na-2H]- 389.103816 194.9
[M]+ 368.12860142 193.0
[M]- 368.12969858 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.