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]+ 452.192856 203.8
[M+Na]+ 474.174798 206.6
[M-H]- 450.178304 212.8
[M+NH4]+ 469.219403 210.8
[M+K]+ 490.148738 198.8
[M+H-H2O]+ 434.182840 196.3
[M+HCOO]- 496.183781 225.2
[M+CH3COO]- 510.199431 232.3
[M+Na-2H]- 472.160246 208.0
[M]+ 451.18503142 203.5
[M]- 451.18612858 203.5
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.