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

8
Patents

266.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 161.2
[M+Na]+ 289.09475 173.8
[M-H]- 265.09825 164.4
[M+NH4]+ 284.13935 184.2
[M+K]+ 305.06869 167.6
[M+H-H2O]+ 249.10279 155.4
[M+HCOO]- 311.10373 178.0
[M+CH3COO]- 325.11938 173.9
[M+Na-2H]- 287.08020 163.8
[M]+ 266.10498 163.8
[M]- 266.10608 163.8
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