CID 9589508

6h-indolo(2,3-b)quinoxaline-6-acetic acid, ((3,4-dimethoxyphenyl)methylene)hydrazide

Structural Information

Molecular Formula
C25H21N5O3
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)OC
InChI
InChI=1S/C25H21N5O3/c1-32-21-12-11-16(13-22(21)33-2)14-26-29-23(31)15-30-20-10-6-3-7-17(20)24-25(30)28-19-9-5-4-8-18(19)27-24/h3-14H,15H2,1-2H3,(H,29,31)/b26-14+
InChIKey
GGQKVKBEEYAGJZ-VULFUBBASA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-indolo[3,2-b]quinoxalin-6-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16443 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17171 204.8
[M+Na]+ 462.15365 214.6
[M-H]- 438.15715 212.6
[M+NH4]+ 457.19825 214.6
[M+K]+ 478.12759 208.1
[M+H-H2O]+ 422.16169 192.5
[M+HCOO]- 484.16263 226.8
[M+CH3COO]- 498.17828 214.2
[M+Na-2H]- 460.13910 212.1
[M]+ 439.16388 212.7
[M]- 439.16498 212.7
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.