CID 5280311

Schembl14339780

Structural Information

Molecular Formula
C26H26N2O2
SMILES
C[C@@H]1CN(CCN1C(=O)C2(CC2)C3=CC4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2O2/c1-19-18-27(24(29)21-8-3-2-4-9-21)15-16-28(19)25(30)26(13-14-26)23-12-11-20-7-5-6-10-22(20)17-23/h2-12,17,19H,13-16,18H2,1H3/t19-/m1/s1
InChIKey
AKJTUNHYUKHQAQ-LJQANCHMSA-N
Compound name
[(3R)-3-methyl-4-(1-naphthalen-2-ylcyclopropanecarbonyl)piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 201.7
[M+Na]+ 421.18865 207.6
[M-H]- 397.19215 211.0
[M+NH4]+ 416.23325 207.0
[M+K]+ 437.16259 201.9
[M+H-H2O]+ 381.19669 190.1
[M+HCOO]- 443.19763 215.0
[M+CH3COO]- 457.21328 208.7
[M+Na-2H]- 419.17410 202.0
[M]+ 398.19888 199.6
[M]- 398.19998 199.6
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