CID 3071881

3-o-acetylcarazostatin

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCCCCCCC1=C2C(=CC(=C1C)OC(=O)C)C3=CC=CC=C3N2
InChI
InChI=1S/C22H27NO2/c1-4-5-6-7-8-11-17-15(2)21(25-16(3)24)14-19-18-12-9-10-13-20(18)23-22(17)19/h9-10,12-14,23H,4-8,11H2,1-3H3
InChIKey
WEGIKCRNTHVIMB-UHFFFAOYSA-N
Compound name
(1-heptyl-2-methyl-9H-carbazol-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 185.7
[M+Na]+ 360.193418 194.1
[M-H]- 336.196924 188.5
[M+NH4]+ 355.238023 201.9
[M+K]+ 376.167358 187.6
[M+H-H2O]+ 320.201460 178.0
[M+HCOO]- 382.202401 204.3
[M+CH3COO]- 396.218051 213.1
[M+Na-2H]- 358.178866 186.7
[M]+ 337.20365142 191.3
[M]- 337.20474858 191.3
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.