CID 6447699

Bucinnazine, 2-methyl

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCC(=O)N1CCN(CC1C)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H26N2O/c1-3-8-18(21)20-14-13-19(15-16(20)2)12-7-11-17-9-5-4-6-10-17/h4-7,9-11,16H,3,8,12-15H2,1-2H3/b11-7+
InChIKey
CRSFXYZFNAFVFC-YRNVUSSQSA-N
Compound name
1-[2-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

286.2045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 172.8
[M+Na]+ 309.19372 176.9
[M-H]- 285.19722 175.2
[M+NH4]+ 304.23832 185.6
[M+K]+ 325.16766 172.1
[M+H-H2O]+ 269.20176 163.2
[M+HCOO]- 331.20270 188.4
[M+CH3COO]- 345.21835 202.5
[M+Na-2H]- 307.17917 173.1
[M]+ 286.20395 170.0
[M]- 286.20505 170.0
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

patents stripe