CID 11402790

(s)-n-(3,5-dimethylphenyl)-3-methyl-2-(n-formyl-n-methylamino)butanamide

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=CC(=CC(=C1)NC(=O)[C@H](C(C)C)N(C)C=O)C
InChI
InChI=1S/C15H22N2O2/c1-10(2)14(17(5)9-18)15(19)16-13-7-11(3)6-12(4)8-13/h6-10,14H,1-5H3,(H,16,19)/t14-/m0/s1
InChIKey
WWUZCRRIJZUXEZ-AWEZNQCLSA-N
Compound name
(2S)-N-(3,5-dimethylphenyl)-2-[formyl(methyl)amino]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

262.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 163.7
[M+Na]+ 285.157338 168.6
[M-H]- 261.160844 168.6
[M+NH4]+ 280.201943 180.6
[M+K]+ 301.131278 168.1
[M+H-H2O]+ 245.165380 156.6
[M+HCOO]- 307.166321 186.7
[M+CH3COO]- 321.181971 209.4
[M+Na-2H]- 283.142786 163.4
[M]+ 262.16757142 165.8
[M]- 262.16866858 165.8
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