CID 135483917

Nsc634662

Structural Information

Molecular Formula
C19H18N4O5
SMILES
CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])/C(=N/NC(=O)C3=CC=CC=C3O)/C
InChI
InChI=1S/C19H18N4O5/c1-11(20-21-19(25)14-6-4-5-7-17(14)24)18-12(2)22(26)15-9-8-13(28-3)10-16(15)23(18)27/h4-10,24H,1-3H3,(H,21,25)/b20-11+
InChIKey
RCPHSWPYBOFZEQ-RGVLZGJSSA-N
Compound name
2-hydroxy-N-[(E)-1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.12772 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13500 189.4
[M+Na]+ 405.11694 194.7
[M-H]- 381.12044 192.3
[M+NH4]+ 400.16154 196.2
[M+K]+ 421.09088 180.8
[M+H-H2O]+ 365.12498 188.2
[M+HCOO]- 427.12592 207.1
[M+CH3COO]- 441.14157 206.2
[M+Na-2H]- 403.10239 196.7
[M]+ 382.12717 186.5
[M]- 382.12827 186.5
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.