CID 32130

23901-26-0

Structural Information

Molecular Formula
C23H25FN2O2
SMILES
COC1=CC=CC2=C1C3=C(N2)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN2O2/c1-28-22-6-2-4-20-23(22)18-11-14-26(15-12-19(18)25-20)13-3-5-21(27)16-7-9-17(24)10-8-16/h2,4,6-10,25H,3,5,11-15H2,1H3
InChIKey
GPSZBKVXYGMCLK-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(10-methoxy-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

380.19 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19728 190.2
[M+Na]+ 403.17922 201.0
[M+NH4]+ 398.22382 196.2
[M+K]+ 419.15316 196.0
[M-H]- 379.18272 191.8
[M+Na-2H]- 401.16467 194.4
[M]+ 380.18945 192.1
[M]- 380.19055 192.1
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.