CID 180420

Cyclopiamide

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1(C2=C(C3=C4C(=C2)C=CC=C4N(C3=O)C)C(=O)N1)C

InChI

InChI=1S/C16H14N2O2/c1-16(2)9-7-8-5-4-6-10-11(8)13(15(20)18(10)3)12(9)14(19)17-16/h4-7H,1-3H3,(H,17,19)

InChIKey

HLFQVBSECSOJNP-UHFFFAOYSA-N

Compound name

5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaene-3,14-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 266.10553 Da
Monoisotopic Mass: 1.7
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]+	267.112806	161.2
[M+Na]+	289.094748	173.8
[M-H]-	265.098254	164.4
[M+NH4]+	284.139353	184.2
[M+K]+	305.068688	167.6
[M+H-H2O]+	249.102790	155.4
[M+HCOO]-	311.103731	178.0
[M+CH3COO]-	325.119381	173.9
[M+Na-2H]-	287.080196	163.8
[M]+	266.10498142	163.8
[M]-	266.10607858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe