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 183.1
[M+Na]+ 373.16866 189.5
[M-H]- 349.17216 187.4
[M+NH4]+ 368.21326 195.8
[M+K]+ 389.14260 185.4
[M+H-H2O]+ 333.17670 174.0
[M+HCOO]- 395.17764 197.7
[M+CH3COO]- 409.19329 191.7
[M+Na-2H]- 371.15411 184.3
[M]+ 350.17889 178.5
[M]- 350.17999 178.5
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

patents stripe