CID 130857

Carazostatin

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCCCCCC1=C2C(=CC(=C1C)O)C3=CC=CC=C3N2
InChI
InChI=1S/C20H25NO/c1-3-4-5-6-7-10-15-14(2)19(22)13-17-16-11-8-9-12-18(16)21-20(15)17/h8-9,11-13,21-22H,3-7,10H2,1-2H3
InChIKey
ADLBIVFEKWBVKQ-UHFFFAOYSA-N
Compound name
1-heptyl-2-methyl-9H-carbazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

35
Patents

295.1936 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 173.1
[M+Na]+ 318.18282 187.4
[M+NH4]+ 313.22742 181.8
[M+K]+ 334.15676 179.8
[M-H]- 294.18632 175.7
[M+Na-2H]- 316.16827 177.8
[M]+ 295.19305 176.0
[M]- 295.19415 176.0
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

patents stripe