CID 135537771

Brn 6024456

Structural Information

Molecular Formula
C22H23N5O6
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])O)CN4CCOCC4
InChI
InChI=1S/C22H23N5O6/c1-15-2-7-19-18(12-15)21(22(29)26(19)14-25-8-10-32-11-9-25)24-23-20(28)13-33-17-5-3-16(4-6-17)27(30)31/h2-7,12,29H,8-11,13-14H2,1H3
InChIKey
HDHIRDBUZFFPBG-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-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

453.16483 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17211 203.7
[M+Na]+ 476.15405 206.9
[M-H]- 452.15755 213.5
[M+NH4]+ 471.19865 209.2
[M+K]+ 492.12799 200.7
[M+H-H2O]+ 436.16209 196.3
[M+HCOO]- 498.16303 224.6
[M+CH3COO]- 512.17868 232.1
[M+Na-2H]- 474.13950 209.0
[M]+ 453.16428 205.0
[M]- 453.16538 205.0
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.