CID 135537772

Brn 6022824

Structural Information

Molecular Formula
C23H25N5O5
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])O)CN4CCCCC4
InChI
InChI=1S/C23H25N5O5/c1-16-5-10-20-19(13-16)22(23(30)27(20)15-26-11-3-2-4-12-26)25-24-21(29)14-33-18-8-6-17(7-9-18)28(31)32/h5-10,13,30H,2-4,11-12,14-15H2,1H3
InChIKey
LHGVVGXDJHUFDB-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.18558 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19286 204.2
[M+Na]+ 474.17480 216.0
[M+NH4]+ 469.21940 209.2
[M+K]+ 490.14874 214.1
[M-H]- 450.17830 210.6
[M+Na-2H]- 472.16025 210.4
[M]+ 451.18503 207.2
[M]- 451.18613 207.2
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.