CID 6882718

Nsc683616

Structural Information

Molecular Formula
C18H16N6O5
SMILES
CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N6O5/c1-10-13(8-14-15(20-10)22(2)18(27)23(3)17(14)26)16(25)21-19-9-11-4-6-12(7-5-11)24(28)29/h4-9H,1-3H3,(H,21,25)/b19-9+
InChIKey
SBIYCHORJOJXNT-DJKKODMXSA-N
Compound name
1,3,7-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

396.11823 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12551 190.3
[M+Na]+ 419.10745 199.2
[M-H]- 395.11095 196.8
[M+NH4]+ 414.15205 197.7
[M+K]+ 435.08139 190.5
[M+H-H2O]+ 379.11549 183.5
[M+HCOO]- 441.11643 213.1
[M+CH3COO]- 455.13208 224.8
[M+Na-2H]- 417.09290 197.6
[M]+ 396.11768 192.8
[M]- 396.11878 192.8
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.