CID 134814663

304855-14-9

Structural Information

Molecular Formula
C19H28N2O6
SMILES
CCCCOCCOCCOCCOC(=O)NC1=CC=CC(=C1)CN=C=O
InChI
InChI=1S/C19H28N2O6/c1-2-3-7-24-8-9-25-10-11-26-12-13-27-19(23)21-18-6-4-5-17(14-18)15-20-16-22/h4-6,14H,2-3,7-13,15H2,1H3,(H,21,23)
InChIKey
SDQYLAPATYTUAY-UHFFFAOYSA-N
Compound name
2-[2-(2-butoxyethoxy)ethoxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.19473 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20201 189.6
[M+Na]+ 403.18395 192.3
[M-H]- 379.18745 192.9
[M+NH4]+ 398.22855 201.1
[M+K]+ 419.15789 191.1
[M+H-H2O]+ 363.19199 179.9
[M+HCOO]- 425.19293 215.2
[M+CH3COO]- 439.20858 223.7
[M+Na-2H]- 401.16940 192.2
[M]+ 380.19418 199.4
[M]- 380.19528 199.4
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.