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]+ 393.311176 204.6
[M+Na]+ 415.293118 206.1
[M-H]- 391.296624 207.5
[M+NH4]+ 410.337723 216.2
[M+K]+ 431.267058 203.8
[M+H-H2O]+ 375.301160 195.1
[M+HCOO]- 437.302101 226.7
[M+CH3COO]- 451.317751 233.6
[M+Na-2H]- 413.278566 202.5
[M]+ 392.30335142 212.8
[M]- 392.30444858 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.