CID 135854428

89547-51-3

Structural Information

Molecular Formula
C28H33Cl2N5O2
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCN(CC4)C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C28H33Cl2N5O2/c29-21-7-10-23(11-8-21)34-16-14-33(15-17-34)19-35-25-12-9-22(30)18-24(25)27(28(35)37)32-31-26(36)13-6-20-4-2-1-3-5-20/h7-12,18,20,37H,1-6,13-17,19H2
InChIKey
CXLQDZUXTWJDGT-UHFFFAOYSA-N
Compound name
N-[5-chloro-1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxyindol-3-yl]imino-3-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.2011 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.20838 231.3
[M+Na]+ 564.19032 235.2
[M-H]- 540.19382 239.4
[M+NH4]+ 559.23492 235.6
[M+K]+ 580.16426 226.9
[M+H-H2O]+ 524.19836 217.5
[M+HCOO]- 586.19930 235.9
[M+CH3COO]- 600.21495 235.7
[M+Na-2H]- 562.17577 226.7
[M]+ 541.20055 231.0
[M]- 541.20165 231.1
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.