CID 3065957

Brn 5667448

Structural Information

Molecular Formula
C23H17BrN6OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H17BrN6OS/c24-14-10-11-19-16(12-14)21-22(27-18-9-5-4-8-17(18)26-21)30(19)13-20(31)28-29-23(32)25-15-6-2-1-3-7-15/h1-12H,13H2,(H,28,31)(H2,25,29,32)
InChIKey
GGYQLJXMWWUJFQ-UHFFFAOYSA-N
Compound name
1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.0368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.04408 196.8
[M+Na]+ 527.02602 202.0
[M+NH4]+ 522.07062 200.7
[M+K]+ 542.99996 199.8
[M-H]- 503.02952 200.6
[M+Na-2H]- 525.01147 201.8
[M]+ 504.03625 197.9
[M]- 504.03735 197.9
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.