CID 135854430

89547-43-3

Structural Information

Molecular Formula
C23H31ClN4O2
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCCCC4)O
InChI
InChI=1S/C23H31ClN4O2/c24-18-10-11-20-19(15-18)22(23(30)28(20)16-27-13-5-2-6-14-27)26-25-21(29)12-9-17-7-3-1-4-8-17/h10-11,15,17,30H,1-9,12-14,16H2
InChIKey
QQXDWQJSUSIYDW-UHFFFAOYSA-N
Compound name
N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-3-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21356 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22084 205.0
[M+Na]+ 453.20278 208.1
[M-H]- 429.20628 212.2
[M+NH4]+ 448.24738 215.0
[M+K]+ 469.17672 201.6
[M+H-H2O]+ 413.21082 193.7
[M+HCOO]- 475.21176 216.8
[M+CH3COO]- 489.22741 211.9
[M+Na-2H]- 451.18823 203.0
[M]+ 430.21301 202.9
[M]- 430.21411 202.9
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.