CID 106663

Einecs 265-980-6

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCCCC(C)NC1=C(C=CC(=C1)NC(=O)C)OC
InChI
InChI=1S/C15H24N2O2/c1-5-6-7-11(2)16-14-10-13(17-12(3)18)8-9-15(14)19-4/h8-11,16H,5-7H2,1-4H3,(H,17,18)
InChIKey
KDVBCMHDPJCRBL-UHFFFAOYSA-N
Compound name
N-[3-(hexan-2-ylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.4
[M+Na]+ 287.17300 170.0
[M-H]- 263.17650 168.6
[M+NH4]+ 282.21760 181.7
[M+K]+ 303.14694 168.1
[M+H-H2O]+ 247.18104 158.0
[M+HCOO]- 309.18198 188.6
[M+CH3COO]- 323.19763 205.9
[M+Na-2H]- 285.15845 167.0
[M]+ 264.18323 167.5
[M]- 264.18433 167.5
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