CID 3059299

4-o-acetylcarbazomycin b

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC1=C(C(=C(C2=C1NC3=CC=CC=C32)OC(=O)C)OC)C
InChI
InChI=1S/C17H17NO3/c1-9-10(2)16(20-4)17(21-11(3)19)14-12-7-5-6-8-13(12)18-15(9)14/h5-8,18H,1-4H3
InChIKey
MLOKDARVTQAWEK-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-dimethyl-9H-carbazol-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 164.8
[M+Na]+ 306.110068 176.3
[M-H]- 282.113574 169.1
[M+NH4]+ 301.154673 183.6
[M+K]+ 322.084008 171.8
[M+H-H2O]+ 266.118110 158.5
[M+HCOO]- 328.119051 185.4
[M+CH3COO]- 342.134701 201.7
[M+Na-2H]- 304.095516 168.2
[M]+ 283.12030142 170.8
[M]- 283.12139858 170.8
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.