CID 135483907

Nsc641614

Structural Information

Molecular Formula
C24H20N6O6
SMILES
CC(C1=CC=C(C=C1)C(/C(=N\NC(=O)C2=CC=NC=C2)/C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)O
InChI
InChI=1S/C24H20N6O6/c1-13(31)14-2-4-15(5-3-14)22(32)20(28-29-23(33)16-8-10-25-11-9-16)21-24(34)27-19-12-17(30(35)36)6-7-18(19)26-21/h2-13,22,31-32H,1H3,(H,27,34)(H,29,33)/b28-20-
InChIKey
NZNXPOJRMIXBIR-RRAHZORUSA-N
Compound name
N-[(Z)-[2-hydroxy-2-[4-(1-hydroxyethyl)phenyl]-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.14444 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15172 204.1
[M+Na]+ 511.13366 205.1
[M-H]- 487.13716 208.1
[M+NH4]+ 506.17826 203.5
[M+K]+ 527.10760 196.6
[M+H-H2O]+ 471.14170 196.2
[M+HCOO]- 533.14264 218.7
[M+CH3COO]- 547.15829 233.7
[M+Na-2H]- 509.11911 210.3
[M]+ 488.14389 199.8
[M]- 488.14499 199.8
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.