CID 135854427

89547-44-4

Structural Information

Molecular Formula
C23H31BrN4O2
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Br)CN4CCCCC4)O
InChI
InChI=1S/C23H31BrN4O2/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
DERVXNLUTBBRMO-UHFFFAOYSA-N
Compound name
N-[5-bromo-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

474.16302 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17030 207.6
[M+Na]+ 497.15224 212.3
[M-H]- 473.15574 217.0
[M+NH4]+ 492.19684 218.9
[M+K]+ 513.12618 200.0
[M+H-H2O]+ 457.16028 202.7
[M+HCOO]- 519.16122 221.8
[M+CH3COO]- 533.17687 235.3
[M+Na-2H]- 495.13769 207.0
[M]+ 474.16247 221.8
[M]- 474.16357 221.8
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.