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
3
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]+ 381.202006 189.6
[M+Na]+ 403.183948 192.3
[M-H]- 379.187454 192.9
[M+NH4]+ 398.228553 201.1
[M+K]+ 419.157888 191.1
[M+H-H2O]+ 363.191990 179.9
[M+HCOO]- 425.192931 215.2
[M+CH3COO]- 439.208581 223.7
[M+Na-2H]- 401.169396 192.2
[M]+ 380.19418142 199.4
[M]- 380.19527858 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.