CID 6433408

Brn 0580251

Structural Information

Molecular Formula
C23H24ClN3O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H24ClN3O2/c24-19-6-8-20(9-7-19)27-13-11-26(12-14-27)15-16-29-23(28)10-5-18-17-25-22-4-2-1-3-21(18)22/h1-10,17,25H,11-16H2/b10-5+
InChIKey
REABODAFZZEDPQ-BJMVGYQFSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16298 199.2
[M+Na]+ 432.14492 205.4
[M-H]- 408.14842 203.4
[M+NH4]+ 427.18952 207.9
[M+K]+ 448.11886 196.4
[M+H-H2O]+ 392.15296 187.7
[M+HCOO]- 454.15390 208.8
[M+CH3COO]- 468.16955 206.4
[M+Na-2H]- 430.13037 198.5
[M]+ 409.15515 198.9
[M]- 409.15625 198.9
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.