CID 177336

Piboserod

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CCCCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42
InChI
InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
InChIKey
KVCSJPATKXABRQ-UHFFFAOYSA-N
Compound name
N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

520
Patents

369.24164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 191.0
[M+Na]+ 392.23086 194.3
[M-H]- 368.23436 195.5
[M+NH4]+ 387.27546 202.2
[M+K]+ 408.20480 189.7
[M+H-H2O]+ 352.23890 180.7
[M+HCOO]- 414.23984 204.0
[M+CH3COO]- 428.25549 198.6
[M+Na-2H]- 390.21631 191.6
[M]+ 369.24109 188.7
[M]- 369.24219 188.7
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