CID 3059663

Brn 6018110

Structural Information

Molecular Formula
C18H16N6O5
SMILES
C1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N6O5/c25-16(22-18(27)21-12-4-2-1-3-5-12)9-19-10-23-11-20-15-7-6-13(24(28)29)8-14(15)17(23)26/h1-8,11,19H,9-10H2,(H2,21,22,25,27)
InChIKey
GMCCWHJZJQUHOP-UHFFFAOYSA-N
Compound name
2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.11823 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12551 182.9
[M+Na]+ 419.10745 186.3
[M-H]- 395.11095 187.8
[M+NH4]+ 414.15205 189.4
[M+K]+ 435.08139 178.6
[M+H-H2O]+ 379.11549 176.2
[M+HCOO]- 441.11643 205.8
[M+CH3COO]- 455.13208 220.6
[M+Na-2H]- 417.09290 192.5
[M]+ 396.11768 181.1
[M]- 396.11878 181.1
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.