CID 66526

Neospiran

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN(CC)C(=O)C1=CC=CC=C1C(=O)N(CC)CC
InChI
InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKey
OPTBBAGXQYOFTL-UHFFFAOYSA-N
Compound name
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

276.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 169.0
[M+Na]+ 299.17300 173.1
[M-H]- 275.17650 174.8
[M+NH4]+ 294.21760 185.8
[M+K]+ 315.14694 173.1
[M+H-H2O]+ 259.18104 161.1
[M+HCOO]- 321.18198 193.2
[M+CH3COO]- 335.19763 213.0
[M+Na-2H]- 297.15845 169.4
[M]+ 276.18323 172.9
[M]- 276.18433 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe