CID 3048785

Kl 3714

Structural Information

Molecular Formula
C23H40N2O3
SMILES
CCCCCOC1=CC(=C(C=C1)NC(=O)OCCN(CCCC)CCCC)C
InChI
InChI=1S/C23H40N2O3/c1-5-8-11-17-27-21-12-13-22(20(4)19-21)24-23(26)28-18-16-25(14-9-6-2)15-10-7-3/h12-13,19H,5-11,14-18H2,1-4H3,(H,24,26)
InChIKey
OXLZESPSXLJQTE-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl N-(2-methyl-4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.3039 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.31118 204.6
[M+Na]+ 415.29312 206.1
[M-H]- 391.29662 207.5
[M+NH4]+ 410.33772 216.2
[M+K]+ 431.26706 203.8
[M+H-H2O]+ 375.30116 195.1
[M+HCOO]- 437.30210 226.7
[M+CH3COO]- 451.31775 233.6
[M+Na-2H]- 413.27857 202.5
[M]+ 392.30335 212.8
[M]- 392.30445 212.8
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.