CID 46145

Kl 3731

Structural Information

Molecular Formula
C20H34N2O3
SMILES
CCCCCOC1=CC(=C(C=C1)NC(=O)OC(C)CN(CC)CC)C
InChI
InChI=1S/C20H34N2O3/c1-6-9-10-13-24-18-11-12-19(16(4)14-18)21-20(23)25-17(5)15-22(7-2)8-3/h11-12,14,17H,6-10,13,15H2,1-5H3,(H,21,23)
InChIKey
WICSKXVFZQMHPD-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(2-methyl-4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.25696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26424 189.9
[M+Na]+ 373.24618 197.9
[M+NH4]+ 368.29078 195.2
[M+K]+ 389.22012 192.0
[M-H]- 349.24968 191.5
[M+Na-2H]- 371.23163 192.7
[M]+ 350.25641 191.2
[M]- 350.25751 191.2
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.