CID 380452

Carquniostatin b

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=O)C1=O)C(C(C)O)O
InChI
InChI=1S/C21H23NO4/c1-10(2)5-6-13-7-8-15-14(9-13)17-18(22-15)16(20(25)12(4)23)11(3)19(24)21(17)26/h5,7-9,12,20,22-23,25H,6H2,1-4H3
InChIKey
YUNXXJUUIKKYDM-UHFFFAOYSA-N
Compound name
1-(1,2-dihydroxypropyl)-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazole-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.9
[M+Na]+ 376.15194 193.1
[M-H]- 352.15544 185.7
[M+NH4]+ 371.19654 199.0
[M+K]+ 392.12588 187.1
[M+H-H2O]+ 336.15998 179.1
[M+HCOO]- 398.16092 197.9
[M+CH3COO]- 412.17657 213.5
[M+Na-2H]- 374.13739 181.6
[M]+ 353.16217 186.4
[M]- 353.16327 186.4
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.