CID 3082756

Carbazomycin h

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=C(C(=O)C2=C(C1(C)O)NC3=C2C=C(C=C3)OC)OC
InChI
InChI=1S/C16H17NO4/c1-8-14(21-4)13(18)12-10-7-9(20-3)5-6-11(10)17-15(12)16(8,2)19/h5-7,17,19H,1-4H3
InChIKey
SMZGKKVSOZURAI-UHFFFAOYSA-N
Compound name
1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

287.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 163.3
[M+Na]+ 310.10497 175.9
[M-H]- 286.10847 166.6
[M+NH4]+ 305.14957 183.5
[M+K]+ 326.07891 171.1
[M+H-H2O]+ 270.11301 157.9
[M+HCOO]- 332.11395 182.4
[M+CH3COO]- 346.12960 199.5
[M+Na-2H]- 308.09042 167.8
[M]+ 287.11520 168.7
[M]- 287.11630 168.7
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.