CID 9567515

Chembl366320

Structural Information

Molecular Formula
C16H15N5O4
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N5O4/c1-11(22)18-13-5-7-14(8-6-13)19-16(23)20-17-10-12-3-2-4-15(9-12)21(24)25/h2-10H,1H3,(H,18,22)(H2,19,20,23)/b17-10+
InChIKey
BUYCVLBKUFJGDE-LICLKQGHSA-N
Compound name
N-[4-[[(E)-(3-nitrophenyl)methylideneamino]carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11968 173.6
[M+Na]+ 364.10162 176.3
[M-H]- 340.10512 181.2
[M+NH4]+ 359.14622 184.7
[M+K]+ 380.07556 170.0
[M+H-H2O]+ 324.10966 168.2
[M+HCOO]- 386.11060 202.5
[M+CH3COO]- 400.12625 214.5
[M+Na-2H]- 362.08707 180.6
[M]+ 341.11185 170.8
[M]- 341.11295 170.8
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.