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 190.7
[M+Na]+ 449.11800 194.2
[M-H]- 425.12150 195.8
[M+NH4]+ 444.16260 196.2
[M+K]+ 465.09194 187.2
[M+H-H2O]+ 409.12604 183.8
[M+HCOO]- 471.12698 213.3
[M+CH3COO]- 485.14263 227.1
[M+Na-2H]- 447.10345 199.4
[M]+ 426.12823 190.9
[M]- 426.12933 190.9
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.