CID 205972

Delfaprazine

Structural Information

Molecular Formula
C18H22N2
SMILES
CC1=CC(=C(C=C1)CC2=CC=CC=C2)N3CCNCC3
InChI
InChI=1S/C18H22N2/c1-15-7-8-17(14-16-5-3-2-4-6-16)18(13-15)20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3
InChIKey
YCNCHNSGPIXBFZ-UHFFFAOYSA-N
Compound name
1-(2-benzyl-5-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

266.17828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.4
[M+Na]+ 289.16750 170.0
[M-H]- 265.17100 169.8
[M+NH4]+ 284.21210 177.8
[M+K]+ 305.14144 163.5
[M+H-H2O]+ 249.17554 155.1
[M+HCOO]- 311.17648 181.2
[M+CH3COO]- 325.19213 174.7
[M+Na-2H]- 287.15295 168.9
[M]+ 266.17773 158.7
[M]- 266.17883 158.7
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

No patent data available for this compound.