CID 3065450

Brn 5638110

Structural Information

Molecular Formula
C16H11ClN4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H11ClN4O4/c17-12-6-5-10(21(24)25)7-14(12)19-15(22)8-20-9-18-13-4-2-1-3-11(13)16(20)23/h1-7,9H,8H2,(H,19,22)
InChIKey
BWZSLFWBOJVEFQ-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-nitrophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.04688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05416 176.7
[M+Na]+ 381.03610 184.6
[M-H]- 357.03960 181.9
[M+NH4]+ 376.08070 186.9
[M+K]+ 397.01004 175.0
[M+H-H2O]+ 341.04414 171.8
[M+HCOO]- 403.04508 194.3
[M+CH3COO]- 417.06073 208.4
[M+Na-2H]- 379.02155 184.8
[M]+ 358.04633 178.5
[M]- 358.04743 178.5
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.