CID 213580

26750-96-9

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCN(CC)C(=O)C1=C(C(=CC(=C1)CC=C)OC)O
InChI
InChI=1S/C15H21NO3/c1-5-8-11-9-12(14(17)13(10-11)19-4)15(18)16(6-2)7-3/h5,9-10,17H,1,6-8H2,2-4H3
InChIKey
UEWVNNYSXBUJHX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-hydroxy-3-methoxy-5-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 161.7
[M+Na]+ 286.14135 168.4
[M-H]- 262.14485 165.4
[M+NH4]+ 281.18595 178.6
[M+K]+ 302.11529 166.5
[M+H-H2O]+ 246.14939 155.0
[M+HCOO]- 308.15033 184.3
[M+CH3COO]- 322.16598 203.3
[M+Na-2H]- 284.12680 162.5
[M]+ 263.15158 165.8
[M]- 263.15268 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

No literature data available for this compound.

Patent stripe

patents stripe