CID 39222

42508-17-8

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)OC(C)CN(CC)CC
InChI
InChI=1S/C18H30N2O3/c1-5-8-13-22-17-11-9-16(10-12-17)19-18(21)23-15(4)14-20(6-2)7-3/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)
InChIKey
IWLMMSZCPRYNGR-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl N-(4-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 182.8
[M+Na]+ 345.21487 185.3
[M-H]- 321.21837 186.5
[M+NH4]+ 340.25947 197.0
[M+K]+ 361.18881 184.7
[M+H-H2O]+ 305.22291 174.2
[M+HCOO]- 367.22385 205.7
[M+CH3COO]- 381.23950 218.4
[M+Na-2H]- 343.20032 182.8
[M]+ 322.22510 188.2
[M]- 322.22620 188.2
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.