CID 6109346

Albonoursin

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC(C)/C=C\1/C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N1
InChI
InChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
InChIKey
LCIIOYPBHIZBOD-JMVBYTIWSA-N
Compound name
(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

283
Patents

256.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.1
[M+Na]+ 279.11042 167.1
[M-H]- 255.11392 159.9
[M+NH4]+ 274.15502 171.1
[M+K]+ 295.08436 160.0
[M+H-H2O]+ 239.11846 149.9
[M+HCOO]- 301.11940 176.6
[M+CH3COO]- 315.13505 189.6
[M+Na-2H]- 277.09587 161.3
[M]+ 256.12065 155.2
[M]- 256.12175 155.2
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