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]+ 338.21148 185.7
[M+Na]+ 360.19342 194.1
[M-H]- 336.19692 188.5
[M+NH4]+ 355.23802 201.9
[M+K]+ 376.16736 187.6
[M+H-H2O]+ 320.20146 178.0
[M+HCOO]- 382.20240 204.3
[M+CH3COO]- 396.21805 213.1
[M+Na-2H]- 358.17887 186.7
[M]+ 337.20365 191.3
[M]- 337.20475 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.