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 203.9
[M+Na]+ 447.21554 208.4
[M-H]- 423.21904 211.5
[M+NH4]+ 442.26014 210.3
[M+K]+ 463.18948 199.4
[M+H-H2O]+ 407.22358 191.0
[M+HCOO]- 469.22452 218.5
[M+CH3COO]- 483.24017 210.5
[M+Na-2H]- 445.20099 204.1
[M]+ 424.22577 199.2
[M]- 424.22687 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.