CID 29167

Of 2451

Structural Information

Molecular Formula
C18H23ClN2O
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)CCC3
InChI
InChI=1S/C18H23ClN2O/c1-3-20(4-2)10-11-21-16-9-8-13(19)12-15(16)14-6-5-7-17(22)18(14)21/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
FRMPGEHIVAOWFJ-UHFFFAOYSA-N
Compound name
6-chloro-9-[2-(diethylamino)ethyl]-3,4-dihydro-2H-carbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1499 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15718 176.9
[M+Na]+ 341.13912 186.0
[M-H]- 317.14262 182.0
[M+NH4]+ 336.18372 195.7
[M+K]+ 357.11306 180.0
[M+H-H2O]+ 301.14716 169.7
[M+HCOO]- 363.14810 193.2
[M+CH3COO]- 377.16375 214.0
[M+Na-2H]- 339.12457 178.9
[M]+ 318.14935 182.1
[M]- 318.15045 182.1
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.