CID 135537768

Brn 6025334

Structural Information

Molecular Formula
C21H21N5O6
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H21N5O6/c27-19(13-32-16-7-5-15(6-8-16)26(29)30)22-23-20-17-3-1-2-4-18(17)25(21(20)28)14-24-9-11-31-12-10-24/h1-8,28H,9-14H2
InChIKey
BDKIPNUSENDKJB-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.14917 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.15645 197.7
[M+Na]+ 462.13839 200.5
[M-H]- 438.14189 207.3
[M+NH4]+ 457.18299 203.5
[M+K]+ 478.11233 194.5
[M+H-H2O]+ 422.14643 190.2
[M+HCOO]- 484.14737 219.0
[M+CH3COO]- 498.16302 227.9
[M+Na-2H]- 460.12384 204.2
[M]+ 439.14862 198.2
[M]- 439.14972 198.2
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.