CID 135854426

89547-40-0

Structural Information

Molecular Formula
C22H29BrN4O3
SMILES
C1CCC(CC1)CCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Br)CN4CCOCC4)O
InChI
InChI=1S/C22H29BrN4O3/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
AUFHQDQQSJSJEP-UHFFFAOYSA-N
Compound name
N-[5-bromo-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

476.1423 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.14958 207.3
[M+Na]+ 499.13152 212.3
[M-H]- 475.13502 217.4
[M+NH4]+ 494.17612 217.2
[M+K]+ 515.10546 201.7
[M+H-H2O]+ 459.13956 202.5
[M+HCOO]- 521.14050 221.0
[M+CH3COO]- 535.15615 215.9
[M+Na-2H]- 497.11697 207.6
[M]+ 476.14175 223.0
[M]- 476.14285 223.0
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.