CID 3067663

81807-90-1

Structural Information

Molecular Formula
C27H28N4O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C27H28N4O/c1-20-6-10-23(11-7-20)30-14-16-31(17-15-30)24-12-8-22(9-13-24)29-27(32)18-21-19-28-26-5-3-2-4-25(21)26/h2-13,19,28H,14-18H2,1H3,(H,29,32)
InChIKey
FXCONJCDUJYYIB-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.22632 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23360 206.9
[M+Na]+ 447.21554 222.3
[M+NH4]+ 442.26014 214.2
[M+K]+ 463.18948 214.4
[M-H]- 423.21904 214.7
[M+Na-2H]- 445.20099 216.8
[M]+ 424.22577 211.3
[M]- 424.22687 211.3
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.