CID 6712744

Silatecan

Structural Information

Molecular Formula
C26H30N2O5Si
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1
InChIKey
XUSKJHCMMWAAHV-SANMLTNESA-N
Compound name
(19S)-10-[tert-butyl(dimethyl)silyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

1691
Patents

478.1924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19968 214.9
[M+Na]+ 501.18162 227.6
[M+NH4]+ 496.22622 221.8
[M+K]+ 517.15556 222.3
[M-H]- 477.18512 216.3
[M+Na-2H]- 499.16707 215.7
[M]+ 478.19185 217.4
[M]- 478.19295 217.4
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