CID 121301

Brn 1402100

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCN(CC)C(=O)COC1=C(C=C(C=C1OC)CC=C)CN2CCCC2
InChI
InChI=1S/C21H32N2O3/c1-5-10-17-13-18(15-22-11-8-9-12-22)21(19(14-17)25-4)26-16-20(24)23(6-2)7-3/h5,13-14H,1,6-12,15-16H2,2-4H3
InChIKey
XMAASLDIOKYMRX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-methoxy-4-prop-2-enyl-6-(pyrrolidin-1-ylmethyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 191.4
[M+Na]+ 383.23052 194.8
[M-H]- 359.23402 196.9
[M+NH4]+ 378.27512 204.8
[M+K]+ 399.20446 192.1
[M+H-H2O]+ 343.23856 182.2
[M+HCOO]- 405.23950 211.4
[M+CH3COO]- 419.25515 222.6
[M+Na-2H]- 381.21597 187.8
[M]+ 360.24075 195.2
[M]- 360.24185 195.2
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.