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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 180.4
[M+Na]+ 354.12130 195.1
[M-H]- 330.12480 185.2
[M+NH4]+ 349.16590 201.1
[M+K]+ 370.09524 188.0
[M+H-H2O]+ 314.12934 172.3
[M+HCOO]- 376.13028 196.7
[M+CH3COO]- 390.14593 192.5
[M+Na-2H]- 352.10675 182.5
[M]+ 331.13153 187.2
[M]- 331.13263 187.2
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.