CID 57527964

Fema no. 4751

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1=C(C=C(C=C1)C(=O)N[C@H](CC(C)C)COC)C
InChI
InChI=1S/C16H25NO2/c1-11(2)8-15(10-19-5)17-16(18)14-7-6-12(3)13(4)9-14/h6-7,9,11,15H,8,10H2,1-5H3,(H,17,18)/t15-/m1/s1
InChIKey
SYXUVVHWKKZARL-OAHLLOKOSA-N
Compound name
N-[(2R)-1-methoxy-4-methylpentan-2-yl]-3,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.7
[M+Na]+ 286.177758 170.6
[M-H]- 262.181264 168.9
[M+NH4]+ 281.222363 182.4
[M+K]+ 302.151698 169.0
[M+H-H2O]+ 246.185800 158.9
[M+HCOO]- 308.186741 186.6
[M+CH3COO]- 322.202391 204.7
[M+Na-2H]- 284.163206 165.2
[M]+ 263.18799142 168.3
[M]- 263.18908858 168.3
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