CID 6433406

Brn 0581588

Structural Information

Molecular Formula
C25H25ClN2O2
SMILES
C1CN(CCN1CCOC(=O)/C=C\C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H25ClN2O2/c26-22-9-11-23(12-10-22)28-16-14-27(15-17-28)18-19-30-25(29)13-8-21-6-3-5-20-4-1-2-7-24(20)21/h1-13H,14-19H2/b13-8-
InChIKey
YEBWTDNXAXPGOD-JYRVWZFOSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.16046 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16774 203.3
[M+Na]+ 443.14968 208.1
[M-H]- 419.15318 208.9
[M+NH4]+ 438.19428 211.4
[M+K]+ 459.12362 199.6
[M+H-H2O]+ 403.15772 191.0
[M+HCOO]- 465.15866 212.7
[M+CH3COO]- 479.17431 210.1
[M+Na-2H]- 441.13513 203.9
[M]+ 420.15991 202.5
[M]- 420.16101 202.5
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.