CID 10226340

444912-75-8

Structural Information

Molecular Formula
C22H23IN2O
SMILES
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I
InChI
InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChIKey
KSLCYQTUSSEGPT-UHFFFAOYSA-N
Compound name
(2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

458.0855 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09278 196.6
[M+Na]+ 481.07472 203.8
[M+NH4]+ 476.11932 200.6
[M+K]+ 497.04866 199.6
[M-H]- 457.07822 196.2
[M+Na-2H]- 479.06017 191.8
[M]+ 458.08495 196.6
[M]- 458.08605 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe