CID 32050

23712-07-4

Structural Information

Molecular Formula
C22H23FN2O
SMILES
C1CN(CCC2=C1C3=CC=CC=C3N2)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN2O/c23-17-9-7-16(8-10-17)22(26)6-3-13-25-14-11-19-18-4-1-2-5-20(18)24-21(19)12-15-25/h1-2,4-5,7-10,24H,3,6,11-15H2
InChIKey
VLOZTRJQZRGNFV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17944 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18672 182.5
[M+Na]+ 373.16866 193.6
[M+NH4]+ 368.21326 189.2
[M+K]+ 389.14260 188.2
[M-H]- 349.17216 184.5
[M+Na-2H]- 371.15411 187.6
[M]+ 350.17889 184.6
[M]- 350.17999 184.6
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.