CID 270916

Nsc114077

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
COC1=C(C=C2C(=C1)C(=CN=N2)SC3=NC4=CC=CC=C4N=C3)OC
InChI
InChI=1S/C18H14N4O2S/c1-23-15-7-11-14(8-16(15)24-2)22-20-9-17(11)25-18-10-19-12-5-3-4-6-13(12)21-18/h3-10H,1-2H3
InChIKey
HJUPYKOTUNXUGS-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-quinoxalin-2-ylsulfanylcinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.08374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09102 180.7
[M+Na]+ 373.07296 193.0
[M-H]- 349.07646 184.6
[M+NH4]+ 368.11756 191.0
[M+K]+ 389.04690 185.9
[M+H-H2O]+ 333.08100 169.9
[M+HCOO]- 395.08194 194.5
[M+CH3COO]- 409.09759 191.0
[M+Na-2H]- 371.05841 188.3
[M]+ 350.08319 188.1
[M]- 350.08429 188.1
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.