CID 3088122

6h-indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide

Structural Information

Molecular Formula
C24H20N6O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C24H20N6O2S/c1-32-16-12-10-15(11-13-16)25-24(33)29-28-21(31)14-30-20-9-5-2-6-17(20)22-23(30)27-19-8-4-3-7-18(19)26-22/h2-13H,14H2,1H3,(H,28,31)(H2,25,29,33)
InChIKey
NFLDUVSXEFIGJT-UHFFFAOYSA-N
Compound name
1-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14412 201.2
[M+Na]+ 479.12606 210.2
[M-H]- 455.12956 207.6
[M+NH4]+ 474.17066 210.4
[M+K]+ 495.10000 202.8
[M+H-H2O]+ 439.13410 191.6
[M+HCOO]- 501.13504 217.9
[M+CH3COO]- 515.15069 209.7
[M+Na-2H]- 477.11151 209.1
[M]+ 456.13629 207.3
[M]- 456.13739 207.3
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.