CID 3070679

86816-95-7

Structural Information

Molecular Formula
C19H18N6O6
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O6/c1-31-16-5-3-2-4-15(16)22-19(28)23-17(26)9-20-10-24-11-21-14-7-6-12(25(29)30)8-13(14)18(24)27/h2-8,11,20H,9-10H2,1H3,(H2,22,23,26,28)
InChIKey
NMYFBQSAIFABNI-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12878 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13606 192.2
[M+Na]+ 449.11800 202.8
[M+NH4]+ 444.16260 195.2
[M+K]+ 465.09194 201.3
[M-H]- 425.12150 195.9
[M+Na-2H]- 447.10345 197.4
[M]+ 426.12823 194.0
[M]- 426.12933 194.0
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.