CID 433137

Nsc323982

Structural Information

Molecular Formula
C27H45AsOS
SMILES
CCCC[As](CCCC)SC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C
InChI
InChI=1S/C27H45AsOS/c1-5-7-17-28(18-8-6-2)30-21-13-15-26(3)20(19-21)9-10-22-23-11-12-25(29)27(23,4)16-14-24(22)26/h9,21-24H,5-8,10-19H2,1-4H3
InChIKey
HMDUINMNMWHCPV-UHFFFAOYSA-N
Compound name
3-dibutylarsanylsulfanyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.2407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.24798 219.7
[M+Na]+ 515.22992 220.6
[M-H]- 491.23342 221.1
[M+NH4]+ 510.27452 237.9
[M+K]+ 531.20386 213.7
[M+H-H2O]+ 475.23796 212.3
[M+HCOO]- 537.23890 221.0
[M+CH3COO]- 551.25455 234.3
[M+Na-2H]- 513.21537 213.2
[M]+ 492.24015 217.6
[M]- 492.24125 217.6
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.