CID 3065953

Brn 5668116

Structural Information

Molecular Formula
C24H19ClN6OS
SMILES
CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42
InChI
InChI=1S/C24H19ClN6OS/c1-14-6-9-16(10-7-14)26-24(33)30-29-21(32)13-31-20-5-3-2-4-17(20)22-23(31)28-18-11-8-15(25)12-19(18)27-22/h2-12H,13H2,1H3,(H,29,32)(H2,26,30,33)
InChIKey
OLOWEHJSCZWQIV-UHFFFAOYSA-N
Compound name
1-[[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.10297 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.11025 206.6
[M+Na]+ 497.09219 217.4
[M-H]- 473.09569 213.2
[M+NH4]+ 492.13679 216.4
[M+K]+ 513.06613 208.5
[M+H-H2O]+ 457.10023 197.8
[M+HCOO]- 519.10117 218.6
[M+CH3COO]- 533.11682 215.2
[M+Na-2H]- 495.07764 212.8
[M]+ 474.10242 214.3
[M]- 474.10352 214.3
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.