CID 177843232

Dtxsid501369626

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)OCCN2CCNC2=O
InChI
InChI=1S/C18H25N3O3/c1-13(2)14-6-5-7-15(12-14)18(3,4)20-17(23)24-11-10-21-9-8-19-16(21)22/h5-7,12H,1,8-11H2,2-4H3,(H,19,22)(H,20,23)
InChIKey
SMXMKZOKTZXTFZ-UHFFFAOYSA-N
Compound name
2-(2-oxoimidazolidin-1-yl)ethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.1896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.196876 181.4
[M+Na]+ 354.178818 185.1
[M-H]- 330.182324 183.5
[M+NH4]+ 349.223423 193.0
[M+K]+ 370.152758 181.3
[M+H-H2O]+ 314.186860 173.1
[M+HCOO]- 376.187801 196.8
[M+CH3COO]- 390.203451 209.2
[M+Na-2H]- 352.164266 180.4
[M]+ 331.18905142 179.3
[M]- 331.19014858 179.3
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.