CID 135484868

Nsc646787

Structural Information

Molecular Formula
C22H25N6O3
SMILES
CC1=CC=C(C=C1)NC(=O)/C(=N\NC(=O)C[N+](C)(C)C)/C2=NC3=CC=CC=C3NC2=O
InChI
InChI=1S/C22H24N6O3/c1-14-9-11-15(12-10-14)23-22(31)20(27-26-18(29)13-28(2,3)4)19-21(30)25-17-8-6-5-7-16(17)24-19/h5-12H,13H2,1-4H3,(H2-,23,24,25,26,27,29,30,31)/p+1
InChIKey
UIQUMZQHLXMEIJ-UHFFFAOYSA-O
Compound name
trimethyl-[2-[(2Z)-2-[2-(4-methylanilino)-2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.19882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20610 197.3
[M+Na]+ 444.18804 200.9
[M-H]- 420.19154 203.5
[M+NH4]+ 439.23264 204.4
[M+K]+ 460.16198 191.5
[M+H-H2O]+ 404.19608 189.1
[M+HCOO]- 466.19702 217.6
[M+CH3COO]- 480.21267 231.6
[M+Na-2H]- 442.17349 206.0
[M]+ 421.19827 196.0
[M]- 421.19937 196.0
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.