CID 5821870

Nsc649801

Structural Information

Molecular Formula
C23H26N7O6
SMILES
C[N+](C)(C)CC(=O)N/N=C(\CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)/C(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C23H25N7O6/c1-30(2,3)13-21(31)28-27-19(23(33)25-16-7-5-6-8-20(16)36-4)12-18-22(32)26-17-11-14(29(34)35)9-10-15(17)24-18/h5-11H,12-13H2,1-4H3,(H2-,25,26,28,31,32,33)/p+1
InChIKey
YGKKHJOVGVTANG-UHFFFAOYSA-O
Compound name
[2-[(2E)-2-[1-(2-methoxyanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.19446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.20174 207.7
[M+Na]+ 519.18368 208.5
[M-H]- 495.18718 213.6
[M+NH4]+ 514.22828 210.3
[M+K]+ 535.15762 196.8
[M+H-H2O]+ 479.19172 203.3
[M+HCOO]- 541.19266 228.0
[M+CH3COO]- 555.20831 237.8
[M+Na-2H]- 517.16913 219.0
[M]+ 496.19391 206.3
[M]- 496.19501 206.3
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.