CID 13260392

88052-59-9

Structural Information

Molecular Formula
C19H24ClN3O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN3O2/c20-17-6-3-16(4-7-17)5-8-18(24)23-13-11-21(12-14-23)15-19(25)22-9-1-2-10-22/h3-8H,1-2,9-15H2/b8-5+
InChIKey
JNBYCAWUZJQWQJ-VMPITWQZSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16298 186.5
[M+Na]+ 384.14492 197.1
[M+NH4]+ 379.18952 192.4
[M+K]+ 400.11886 191.9
[M-H]- 360.14842 188.8
[M+Na-2H]- 382.13037 191.1
[M]+ 361.15515 188.5
[M]- 361.15625 188.5
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.