CID 135854429

89547-39-7

Structural Information

Molecular Formula
C22H29ClN4O3
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCOCC4)O
InChI
InChI=1S/C22H29ClN4O3/c23-17-7-8-19-18(14-17)21(22(29)27(19)15-26-10-12-30-13-11-26)25-24-20(28)9-6-16-4-2-1-3-5-16/h7-8,14,16,29H,1-6,9-13,15H2
InChIKey
IEWFEFHENRCKEJ-UHFFFAOYSA-N
Compound name
N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1928 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20008 204.8
[M+Na]+ 455.18202 208.3
[M-H]- 431.18552 212.9
[M+NH4]+ 450.22662 213.3
[M+K]+ 471.15596 203.7
[M+H-H2O]+ 415.19006 193.7
[M+HCOO]- 477.19100 216.1
[M+CH3COO]- 491.20665 212.0
[M+Na-2H]- 453.16747 203.8
[M]+ 432.19225 204.3
[M]- 432.19335 204.3
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.