CID 294156

Nsc162141

Structural Information

Molecular Formula
C23H30N4O5
SMILES
CC1=C(C(=CC=C1)NC(=O)NCCOC(=O)OCCNC(=O)NC2=CC=CC(=C2C)C)C
InChI
InChI=1S/C23H30N4O5/c1-15-7-5-9-19(17(15)3)26-21(28)24-11-13-31-23(30)32-14-12-25-22(29)27-20-10-6-8-16(2)18(20)4/h5-10H,11-14H2,1-4H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
ZNMWQNFQRJIXJU-UHFFFAOYSA-N
Compound name
bis[2-[(2,3-dimethylphenyl)carbamoylamino]ethyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.22162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.22890 208.9
[M+Na]+ 465.21084 211.2
[M-H]- 441.21434 215.1
[M+NH4]+ 460.25544 216.8
[M+K]+ 481.18478 209.4
[M+H-H2O]+ 425.21888 198.4
[M+HCOO]- 487.21982 232.6
[M+CH3COO]- 501.23547 241.7
[M+Na-2H]- 463.19629 207.8
[M]+ 442.22107 212.3
[M]- 442.22217 212.3
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.