CID 5466739

Nsc642038

Structural Information

Molecular Formula
C24H14N10O8
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)/C(=N/NC(=O)C2=CC=NC=C2)/C(C3=CN=C4C=CC(=CC4=N3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C24H14N10O8/c25-11-14-9-15(32(37)38)1-3-17(14)29-24(36)21(30-31-23(35)13-5-7-26-8-6-13)22(34(41)42)20-12-27-18-4-2-16(33(39)40)10-19(18)28-20/h1-10,12,22H,(H,29,36)(H,31,35)/b30-21+
InChIKey
NCPJUBWNIPTJNR-MWAVMZGNSA-N
Compound name
N-[(E)-[1-(2-cyano-4-nitroanilino)-3-nitro-3-(7-nitroquinoxalin-2-yl)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.0996 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.10688 229.2
[M+Na]+ 593.08882 225.7
[M-H]- 569.09232 231.3
[M+NH4]+ 588.13342 223.2
[M+K]+ 609.06276 212.1
[M+H-H2O]+ 553.09686 219.8
[M+HCOO]- 615.09780 242.1
[M+CH3COO]- 629.11345 245.6
[M+Na-2H]- 591.07427 266.2
[M]+ 570.09905 216.1
[M]- 570.10015 216.1
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.