CID 102515481

4'-methoxycyclopeptin

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CN1C(C(=O)NC2=CC=CC=C2C1=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-10,16H,11H2,1-2H3,(H,19,21)
InChIKey
UOYDZPKQPOLDIR-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.2
[M+Na]+ 333.12096 185.5
[M+NH4]+ 328.16556 179.2
[M+K]+ 349.09490 179.8
[M-H]- 309.12446 175.5
[M+Na-2H]- 331.10641 178.7
[M]+ 310.13119 175.6
[M]- 310.13229 175.6
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

No patent data available for this compound.