CID 91980796

Dtxsid10888634

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NCCN2CCNC2=O
InChI
InChI=1S/C18H26N4O2/c1-13(2)14-6-5-7-15(12-14)18(3,4)21-16(23)19-8-10-22-11-9-20-17(22)24/h5-7,12H,1,8-11H2,2-4H3,(H,20,24)(H2,19,21,23)
InChIKey
BISCWEZBJXTFET-UHFFFAOYSA-N
Compound name
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.20557 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 182.0
[M+Na]+ 353.19479 184.9
[M-H]- 329.19829 184.0
[M+NH4]+ 348.23939 193.4
[M+K]+ 369.16873 180.6
[M+H-H2O]+ 313.20283 173.4
[M+HCOO]- 375.20377 198.3
[M+CH3COO]- 389.21942 212.3
[M+Na-2H]- 351.18024 181.5
[M]+ 330.20502 177.8
[M]- 330.20612 177.8
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.