CID 3070678

86816-94-6

Structural Information

Molecular Formula
C19H18N6O5
SMILES
CC1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O5/c1-12-2-4-13(5-3-12)22-19(28)23-17(26)9-20-10-24-11-21-16-7-6-14(25(29)30)8-15(16)18(24)27/h2-8,11,20H,9-10H2,1H3,(H2,22,23,26,28)
InChIKey
MPZRIUUPKGGUOW-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)carbamoyl]-2-[(6-nitro-4-oxoquinazolin-3-yl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.13388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14116 189.6
[M+Na]+ 433.12310 200.8
[M+NH4]+ 428.16770 193.3
[M+K]+ 449.09704 198.7
[M-H]- 409.12660 193.8
[M+Na-2H]- 431.10855 195.3
[M]+ 410.13333 191.7
[M]- 410.13443 191.7
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.