CID 496854

Nsc700500

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C(=CC4=O)NC
InChI
InChI=1S/C19H23NO3/c1-19-8-7-11-10(13(19)5-6-16(19)22)3-4-12-15(21)9-14(20-2)18(23)17(11)12/h9-11,13,20H,3-8H2,1-2H3
InChIKey
JWDXURMBISCZNE-UHFFFAOYSA-N
Compound name
13-methyl-2-(methylamino)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-1,4,17-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 171.3
[M+Na]+ 336.15702 178.3
[M-H]- 312.16052 176.5
[M+NH4]+ 331.20162 192.6
[M+K]+ 352.13096 172.8
[M+H-H2O]+ 296.16506 165.2
[M+HCOO]- 358.16600 185.5
[M+CH3COO]- 372.18165 212.2
[M+Na-2H]- 334.14247 172.5
[M]+ 313.16725 167.0
[M]- 313.16835 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.