CID 15649436

Dehydrocyclopeptine

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CN1/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3C1=O
InChI
InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-
InChIKey
FYVKHLSOIIPVEH-PTNGSMBKSA-N
Compound name
(3Z)-3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

278.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 165.3
[M+Na]+ 301.09475 177.9
[M+NH4]+ 296.13935 171.7
[M+K]+ 317.06869 171.7
[M-H]- 277.09825 167.8
[M+Na-2H]- 299.08020 171.6
[M]+ 278.10498 167.8
[M]- 278.10608 167.8
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