CID 32380

Brn 0711853

Structural Information

Molecular Formula
C24H27FN2O2
SMILES
CN1C2=C(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=C1C=CC=C4OC
InChI
InChI=1S/C24H27FN2O2/c1-26-20-13-16-27(14-4-6-22(28)17-8-10-18(25)11-9-17)15-12-19(20)24-21(26)5-3-7-23(24)29-2/h3,5,7-11H,4,6,12-16H2,1-2H3
InChIKey
JYMLYFYFQOJKFX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.20566 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21294 195.6
[M+Na]+ 417.19488 203.0
[M-H]- 393.19838 201.5
[M+NH4]+ 412.23948 207.7
[M+K]+ 433.16882 200.2
[M+H-H2O]+ 377.20292 186.1
[M+HCOO]- 439.20386 210.9
[M+CH3COO]- 453.21951 204.4
[M+Na-2H]- 415.18033 194.8
[M]+ 394.20511 195.3
[M]- 394.20621 195.3
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.