CID 6444451

Brn 0583767

Structural Information

Molecular Formula
C24H24ClN3O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=NC3=CC=CC=C23)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClN3O2/c25-20-6-8-21(9-7-20)28-15-13-27(14-16-28)17-18-30-24(29)10-5-19-11-12-26-23-4-2-1-3-22(19)23/h1-12H,13-18H2/b10-5+
InChIKey
WUCMLBDFUBJCTR-BJMVGYQFSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-quinolin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1557 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16298 202.9
[M+Na]+ 444.14492 207.9
[M-H]- 420.14842 207.2
[M+NH4]+ 439.18952 209.4
[M+K]+ 460.11886 199.5
[M+H-H2O]+ 404.15296 189.7
[M+HCOO]- 466.15390 211.1
[M+CH3COO]- 480.16955 209.2
[M+Na-2H]- 442.13037 204.1
[M]+ 421.15515 202.1
[M]- 421.15625 202.1
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.