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]+ 427.136056 190.7
[M+Na]+ 449.117998 194.2
[M-H]- 425.121504 195.8
[M+NH4]+ 444.162603 196.2
[M+K]+ 465.091938 187.2
[M+H-H2O]+ 409.126040 183.8
[M+HCOO]- 471.126981 213.3
[M+CH3COO]- 485.142631 227.1
[M+Na-2H]- 447.103446 199.4
[M]+ 426.12823142 190.9
[M]- 426.12932858 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.