CID 135854439

89547-45-5

Structural Information

Molecular Formula
C28H35N5O2
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCN(CC4)C5=CC=CC=C5)O
InChI
InChI=1S/C28H35N5O2/c34-26(16-15-22-9-3-1-4-10-22)29-30-27-24-13-7-8-14-25(24)33(28(27)35)21-31-17-19-32(20-18-31)23-11-5-2-6-12-23/h2,5-8,11-14,22,35H,1,3-4,9-10,15-21H2
InChIKey
WDNIGOGHMQFVAX-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[2-hydroxy-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-yl]iminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.27908 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.28636 218.2
[M+Na]+ 496.26830 229.8
[M+NH4]+ 491.31290 224.3
[M+K]+ 512.24224 222.8
[M-H]- 472.27180 225.7
[M+Na-2H]- 494.25375 225.6
[M]+ 473.27853 221.7
[M]- 473.27963 221.7
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.