CID 15957485

1h-carbazole-1-carboxylic acid, 5-cyano-8-fluoro-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C17H19FN2O2
SMILES
CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)F)C(=O)O
InChI
InChI=1S/C17H19FN2O2/c1-2-7-17(16(21)22)8-3-4-11-13-10(9-19)5-6-12(18)14(13)20-15(11)17/h5-6,11,15,20H,2-4,7-8H2,1H3,(H,21,22)
InChIKey
VGOHJJRJRQLQET-UHFFFAOYSA-N
Compound name
5-cyano-8-fluoro-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.14307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15035 171.3
[M+Na]+ 325.13229 181.7
[M-H]- 301.13579 170.6
[M+NH4]+ 320.17689 187.9
[M+K]+ 341.10623 172.1
[M+H-H2O]+ 285.14033 158.4
[M+HCOO]- 347.14127 180.9
[M+CH3COO]- 361.15692 211.4
[M+Na-2H]- 323.11774 171.6
[M]+ 302.14252 162.5
[M]- 302.14362 162.5
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.