CID 135854438

89547-37-5

Structural Information

Molecular Formula
C22H30N4O3
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCOCC4)O
InChI
InChI=1S/C22H30N4O3/c27-20(11-10-17-6-2-1-3-7-17)23-24-21-18-8-4-5-9-19(18)26(22(21)28)16-25-12-14-29-15-13-25/h4-5,8-9,17,28H,1-3,6-7,10-16H2
InChIKey
HGNIMMHGLALQMK-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.23178 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23906 195.1
[M+Na]+ 421.22100 197.0
[M-H]- 397.22450 203.1
[M+NH4]+ 416.26560 203.8
[M+K]+ 437.19494 193.7
[M+H-H2O]+ 381.22904 183.5
[M+HCOO]- 443.22998 211.2
[M+CH3COO]- 457.24563 202.5
[M+Na-2H]- 419.20645 195.5
[M]+ 398.23123 191.9
[M]- 398.23233 191.9
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.