CID 10091392

Org-28611

Structural Information

Molecular Formula
C23H33N3O2
SMILES
C[C@H]1CN(CCN1C)C(=O)C2=CN(C3=C2C=CC=C3OC)CC4CCCCC4
InChI
InChI=1S/C23H33N3O2/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKey
ONXJNAIZJKLJGA-KRWDZBQOSA-N
Compound name
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

383.25726 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 198.2
[M+Na]+ 406.24648 202.5
[M-H]- 382.24998 203.5
[M+NH4]+ 401.29108 208.2
[M+K]+ 422.22042 196.8
[M+H-H2O]+ 366.25452 186.7
[M+HCOO]- 428.25546 209.4
[M+CH3COO]- 442.27111 205.4
[M+Na-2H]- 404.23193 193.8
[M]+ 383.25671 194.8
[M]- 383.25781 194.8
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