CID 366212

Nsc634540

Structural Information

Molecular Formula
C19H17NO3
SMILES
C1C=CC(=C1)C(=O)ON(CC2=CC=CC=C2)C(=O)C3C=CC=C3
InChI
InChI=1S/C19H17NO3/c21-18(16-10-4-5-11-16)20(14-15-8-2-1-3-9-15)23-19(22)17-12-6-7-13-17/h1-6,8-13,16H,7,14H2
InChIKey
PKYXEDPILXCORJ-UHFFFAOYSA-N
Compound name
[benzyl(cyclopenta-2,4-diene-1-carbonyl)amino] cyclopenta-1,4-diene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 174.2
[M+Na]+ 330.11007 178.6
[M-H]- 306.11357 185.3
[M+NH4]+ 325.15467 191.7
[M+K]+ 346.08401 176.6
[M+H-H2O]+ 290.11811 165.9
[M+HCOO]- 352.11905 200.3
[M+CH3COO]- 366.13470 205.3
[M+Na-2H]- 328.09552 174.0
[M]+ 307.12030 175.9
[M]- 307.12140 175.9
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.