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]+ 425.233596 203.9
[M+Na]+ 447.215538 208.4
[M-H]- 423.219044 211.5
[M+NH4]+ 442.260143 210.3
[M+K]+ 463.189478 199.4
[M+H-H2O]+ 407.223580 191.0
[M+HCOO]- 469.224521 218.5
[M+CH3COO]- 483.240171 210.5
[M+Na-2H]- 445.200986 204.1
[M]+ 424.22577142 199.2
[M]- 424.22686858 199.2
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.