CID 16061509

Bavisant

Structural Information

Molecular Formula
C19H27N3O2
SMILES
C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4
InChI
InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
InChIKey
BGBVSGSIXIIREO-UHFFFAOYSA-N
Compound name
(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

111
Patents

329.21033 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.21761 187.8
[M+Na]+ 352.19955 191.3
[M-H]- 328.20305 195.0
[M+NH4]+ 347.24415 190.5
[M+K]+ 368.17349 187.7
[M+H-H2O]+ 312.20759 175.6
[M+HCOO]- 374.20853 198.6
[M+CH3COO]- 388.22418 194.3
[M+Na-2H]- 350.18500 187.1
[M]+ 329.20978 182.6
[M]- 329.21088 182.6
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