CID 3065959

Brn 5674994

Structural Information

Molecular Formula
C24H19BrN6O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C24H19BrN6O2S/c1-33-16-9-7-15(8-10-16)26-24(34)30-29-21(32)13-31-20-11-6-14(25)12-17(20)22-23(31)28-19-5-3-2-4-18(19)27-22/h2-12H,13H2,1H3,(H,29,32)(H2,26,30,34)
InChIKey
JVDIVNKQDVATJT-UHFFFAOYSA-N
Compound name
1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.04736 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05464 205.4
[M+Na]+ 557.03658 210.2
[M+NH4]+ 552.08118 208.6
[M+K]+ 573.01052 208.4
[M-H]- 533.04008 208.9
[M+Na-2H]- 555.02203 209.5
[M]+ 534.04681 206.3
[M]- 534.04791 206.3
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.