CID 41198

N,n-diethyl-2,4-dimethylbenzamide

Structural Information

Molecular Formula
C13H19NO
SMILES
CCN(CC)C(=O)C1=C(C=C(C=C1)C)C
InChI
InChI=1S/C13H19NO/c1-5-14(6-2)13(15)12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKey
YQCGAQBECDYQFQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

205.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.6
[M+Na]+ 228.135888 154.6
[M-H]- 204.139394 152.8
[M+NH4]+ 223.180493 167.6
[M+K]+ 244.109828 153.5
[M+H-H2O]+ 188.143930 141.3
[M+HCOO]- 250.144871 171.8
[M+CH3COO]- 264.160521 195.4
[M+Na-2H]- 226.121336 150.6
[M]+ 205.14612142 150.3
[M]- 205.14721858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe