CID 10983006

3'-o-demethyl-4'-n-demethyl-staurosporine

Structural Information

Molecular Formula
C26H22N4O3
SMILES
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N)O
InChI
InChI=1S/C26H22N4O3/c1-26-24(31)15(27)10-18(33-26)29-16-8-4-2-6-12(16)20-21-14(11-28-25(21)32)19-13-7-3-5-9-17(13)30(26)23(19)22(20)29/h2-9,15,18,24,31H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26+/m1/s1
InChIKey
ZTXLQQYIZJOJCW-MCNPSASJSA-N
Compound name
(2S,3R,4R,6R)-4-amino-3-hydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

438.1692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 199.2
[M+Na]+ 461.15842 212.5
[M-H]- 437.16192 205.8
[M+NH4]+ 456.20302 216.7
[M+K]+ 477.13236 205.5
[M+H-H2O]+ 421.16646 192.9
[M+HCOO]- 483.16740 208.6
[M+CH3COO]- 497.18305 208.2
[M+Na-2H]- 459.14387 200.9
[M]+ 438.16865 203.1
[M]- 438.16975 203.1
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.