CID 192365

Epocarbazolin a

Structural Information

Molecular Formula
C22H27NO4
SMILES
CC1=C(C=C2C3=C(C=CC(=C3NC2=C1C4C(O4)(C)CCC(C)C)O)CO)O
InChI
InChI=1S/C22H27NO4/c1-11(2)7-8-22(4)21(27-22)17-12(3)16(26)9-14-18-13(10-24)5-6-15(25)20(18)23-19(14)17/h5-6,9,11,21,23-26H,7-8,10H2,1-4H3
InChIKey
JFHJFCCMTNIENN-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-7-methyl-8-[3-methyl-3-(3-methylbutyl)oxiran-2-yl]-9H-carbazole-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

91
Patents

369.194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 185.8
[M+Na]+ 392.18322 197.6
[M-H]- 368.18672 190.4
[M+NH4]+ 387.22782 195.3
[M+K]+ 408.15716 191.2
[M+H-H2O]+ 352.19126 180.7
[M+HCOO]- 414.19220 198.7
[M+CH3COO]- 428.20785 216.2
[M+Na-2H]- 390.16867 186.6
[M]+ 369.19345 193.6
[M]- 369.19455 193.6
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