CID 212085

Brn 0701047

Structural Information

Molecular Formula
C23H25FN2O
SMILES
CC1=CC2=C(C=C1)NC3=C2CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN2O/c1-16-4-9-21-20(15-16)19-10-13-26(14-11-22(19)25-21)12-2-3-23(27)17-5-7-18(24)8-6-17/h4-9,15,25H,2-3,10-14H2,1H3
InChIKey
OONUSIUXUQOPHJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(9-methyl-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

364.1951 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20238 187.9
[M+Na]+ 387.18432 194.8
[M-H]- 363.18782 192.4
[M+NH4]+ 382.22892 200.4
[M+K]+ 403.15826 190.6
[M+H-H2O]+ 347.19236 178.9
[M+HCOO]- 409.19330 202.1
[M+CH3COO]- 423.20895 196.4
[M+Na-2H]- 385.16977 188.0
[M]+ 364.19455 184.0
[M]- 364.19565 184.0
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