CID 496767

Nsc698611

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C(C1=CC=CC=C1)O)N(C)C(=O)C(CC=C)N
InChI
InChI=1S/C15H22N2O2/c1-4-8-13(16)15(19)17(3)11(2)14(18)12-9-6-5-7-10-12/h4-7,9-11,13-14,18H,1,8,16H2,2-3H3
InChIKey
RNCFTTJKJVMSSC-UHFFFAOYSA-N
Compound name
2-amino-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 166.1
[M+Na]+ 285.15734 168.5
[M-H]- 261.16084 168.3
[M+NH4]+ 280.20194 181.3
[M+K]+ 301.13128 167.2
[M+H-H2O]+ 245.16538 158.8
[M+HCOO]- 307.16632 185.9
[M+CH3COO]- 321.18197 204.8
[M+Na-2H]- 283.14279 164.3
[M]+ 262.16757 163.8
[M]- 262.16867 163.8
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

No patent data available for this compound.