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 188.8
[M+Na]+ 433.12310 192.7
[M-H]- 409.12660 193.9
[M+NH4]+ 428.16770 195.1
[M+K]+ 449.09704 184.9
[M+H-H2O]+ 393.13114 182.1
[M+HCOO]- 455.13208 211.3
[M+CH3COO]- 469.14773 224.8
[M+Na-2H]- 431.10855 197.1
[M]+ 410.13333 187.7
[M]- 410.13443 187.7
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.