CID 122218855

Cyclopiamide e

Structural Information

Molecular Formula

C₂₀H₁₇N₃O₂

SMILES

CC1=CC(=O)N2C(=N1)C3=C(C2(C)C)C=C4C=CC=C5C4=C3C(=O)N5C

InChI

InChI=1S/C20H17N3O2/c1-10-8-14(24)23-18(21-10)16-12(20(23,2)3)9-11-6-5-7-13-15(11)17(16)19(25)22(13)4/h5-9H,1-4H3

InChIKey

HWVSEBJIGPDHQU-UHFFFAOYSA-N

Compound name

5,9,9,17-tetramethyl-4,8,17-triazapentacyclo[10.6.1.02,10.03,8.016,19]nonadeca-1(19),2(10),3,5,11,13,15-heptaene-7,18-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.13208 Da
Monoisotopic Mass: 2.0
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]+	332.139356	180.4
[M+Na]+	354.121298	195.1
[M-H]-	330.124804	185.2
[M+NH4]+	349.165903	201.1
[M+K]+	370.095238	188.0
[M+H-H2O]+	314.129340	172.3
[M+HCOO]-	376.130281	196.7
[M+CH3COO]-	390.145931	192.5
[M+Na-2H]-	352.106746	182.5
[M]+	331.13153142	187.2
[M]-	331.13262858	187.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.