CID 46146

Kl 3831

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCCCCOC1=CC(=C(C=C1)NC(=O)OC(C)CN(CC)CC)C
InChI
InChI=1S/C21H36N2O3/c1-6-9-10-11-14-25-19-12-13-20(17(4)15-19)22-21(24)26-18(5)16-23(7-2)8-3/h12-13,15,18H,6-11,14,16H2,1-5H3,(H,22,24)
InChIKey
WZKHEEMESQKECF-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.27258 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.27986 196.2
[M+Na]+ 387.26180 198.3
[M-H]- 363.26530 199.6
[M+NH4]+ 382.30640 208.9
[M+K]+ 403.23574 197.1
[M+H-H2O]+ 347.26984 187.3
[M+HCOO]- 409.27078 218.0
[M+CH3COO]- 423.28643 228.5
[M+Na-2H]- 385.24725 193.9
[M]+ 364.27203 203.0
[M]- 364.27313 203.0
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.