CID 3003946

Nsc 338958

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

C[C@H]1C2(C(=C(C13[C@@]2(N4C(=O)N(C(=O)N4C3)C5=CC=CC=C5)C)C)C)C

InChI

InChI=1S/C20H23N3O2/c1-12-13(2)20-11-21-16(24)22(15-9-7-6-8-10-15)17(25)23(21)19(20,5)18(12,4)14(20)3/h6-10,14H,11H2,1-5H3/t14-,18?,19+,20?/m0/s1

InChIKey

YFMBMZXUSHHABR-UYSIFVEPSA-N

Compound name

(8R,12S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.17902 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.186296	179.3
[M+Na]+	360.168238	191.9
[M-H]-	336.171744	186.8
[M+NH4]+	355.212843	201.1
[M+K]+	376.142178	188.3
[M+H-H2O]+	320.176280	171.8
[M+HCOO]-	382.177221	195.9
[M+CH3COO]-	396.192871	191.7
[M+Na-2H]-	358.153686	179.4
[M]+	337.17847142	198.5
[M]-	337.17956858	198.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.