CID 167717862

2913426-35-2

Structural Information

Molecular Formula
C10H9N5O2
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC(=C2)N=[N+]=[N-]
InChI
InChI=1S/C10H9N5O2/c11-14-13-7-2-1-3-8(6-7)15-5-4-9(16)12-10(15)17/h1-3,6H,4-5H2,(H,12,16,17)
InChIKey
NRXAQCJXIGNSSQ-UHFFFAOYSA-N
Compound name
1-(3-azidophenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.07562 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08290 147.5
[M+Na]+ 254.06484 153.8
[M-H]- 230.06834 152.8
[M+NH4]+ 249.10944 161.7
[M+K]+ 270.03878 145.7
[M+H-H2O]+ 214.07288 142.8
[M+HCOO]- 276.07382 172.3
[M+CH3COO]- 290.08947 189.3
[M+Na-2H]- 252.05029 156.7
[M]+ 231.07507 140.5
[M]- 231.07617 140.5
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.