CID 3065954

Brn 5672265

Structural Information

Molecular Formula
C24H19ClN6O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42
InChI
InChI=1S/C24H19ClN6O2S/c1-33-16-9-7-15(8-10-16)26-24(34)30-29-21(32)13-31-20-5-3-2-4-17(20)22-23(31)28-18-11-6-14(25)12-19(18)27-22/h2-12H,13H2,1H3,(H,29,32)(H2,26,30,34)
InChIKey
RZJHGBRSFAYVDB-UHFFFAOYSA-N
Compound name
1-[[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09787 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10515 208.6
[M+Na]+ 513.08709 218.9
[M-H]- 489.09059 215.2
[M+NH4]+ 508.13169 217.6
[M+K]+ 529.06103 210.9
[M+H-H2O]+ 473.09513 199.7
[M+HCOO]- 535.09607 220.8
[M+CH3COO]- 549.11172 217.0
[M+Na-2H]- 511.07254 215.2
[M]+ 490.09732 217.5
[M]- 490.09842 217.5
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.