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

110
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.7
[M+Na]+ 286.17776 170.6
[M-H]- 262.18126 168.9
[M+NH4]+ 281.22236 182.4
[M+K]+ 302.15170 169.0
[M+H-H2O]+ 246.18580 158.9
[M+HCOO]- 308.18674 186.6
[M+CH3COO]- 322.20239 204.7
[M+Na-2H]- 284.16321 165.2
[M]+ 263.18799 168.3
[M]- 263.18909 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