CID 3088121

6h-indolo(2,3-b)quinoxaline-6-acetic acid, 2-((phenylamino)thiocarbonyl)hydrazide

Structural Information

Molecular Formula
C23H18N6OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H18N6OS/c30-20(27-28-23(31)24-15-8-2-1-3-9-15)14-29-19-13-7-4-10-16(19)21-22(29)26-18-12-6-5-11-17(18)25-21/h1-13H,14H2,(H,27,30)(H2,24,28,31)
InChIKey
WBGMMPQMNHSJTI-UHFFFAOYSA-N
Compound name
1-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12628 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13356 192.5
[M+Na]+ 449.11550 201.6
[M-H]- 425.11900 198.8
[M+NH4]+ 444.16010 202.8
[M+K]+ 465.08944 193.5
[M+H-H2O]+ 409.12354 183.0
[M+HCOO]- 471.12448 209.5
[M+CH3COO]- 485.14013 201.5
[M+Na-2H]- 447.10095 201.4
[M]+ 426.12573 196.6
[M]- 426.12683 196.6
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.