CID 135854431

89547-50-2

Structural Information

Molecular Formula
C29H36ClN5O2
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)CCC3CCCCC3)O)CN4CCN(CC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H36ClN5O2/c1-21-7-13-26-25(19-21)28(32-31-27(36)14-8-22-5-3-2-4-6-22)29(37)35(26)20-33-15-17-34(18-16-33)24-11-9-23(30)10-12-24/h7,9-13,19,22,37H,2-6,8,14-18,20H2,1H3
InChIKey
OOPNEXIROVKFHW-UHFFFAOYSA-N
Compound name
N-[1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxy-5-methylindol-3-yl]imino-3-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.25574 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.26302 229.7
[M+Na]+ 544.24496 232.8
[M-H]- 520.24846 238.5
[M+NH4]+ 539.28956 234.2
[M+K]+ 560.21890 224.8
[M+H-H2O]+ 504.25300 215.6
[M+HCOO]- 566.25394 238.9
[M+CH3COO]- 580.26959 234.4
[M+Na-2H]- 542.23041 225.4
[M]+ 521.25519 228.1
[M]- 521.25629 228.1
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.