CID 57495095

Butanamide, 2-ethyl-n-methyl-n-(3-methylphenyl)-

Structural Information

Molecular Formula
C14H21NO
SMILES
CCC(CC)C(=O)N(C)C1=CC=CC(=C1)C
InChI
InChI=1S/C14H21NO/c1-5-12(6-2)14(16)15(4)13-9-7-8-11(3)10-13/h7-10,12H,5-6H2,1-4H3
InChIKey
XATDMWWMSDQXFD-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-N-(3-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

317
Patents

219.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.2
[M+Na]+ 242.15153 158.6
[M-H]- 218.15503 157.9
[M+NH4]+ 237.19613 172.2
[M+K]+ 258.12547 157.8
[M+H-H2O]+ 202.15957 146.6
[M+HCOO]- 264.16051 176.1
[M+CH3COO]- 278.17616 198.1
[M+Na-2H]- 240.13698 155.1
[M]+ 219.16176 155.3
[M]- 219.16286 155.3
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

patents stripe