CID 3080866

Anb-nos

Structural Information

Molecular Formula
C11H7N5O6
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])[N+](=O)[O-]
InChI
InChI=1S/C11H7N5O6/c12-14-13-6-1-2-8(16(20)21)7(5-6)11(19)22-15-9(17)3-4-10(15)18/h1-2,5H,3-4H2
InChIKey
FUOJEDZPVVDXHI-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 5-azido-2-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2572
Patents

305.03964 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.046916 164.4
[M+Na]+ 328.028858 169.4
[M-H]- 304.032364 172.6
[M+NH4]+ 323.073463 177.6
[M+K]+ 344.002798 159.5
[M+H-H2O]+ 288.036900 164.4
[M+HCOO]- 350.037841 192.8
[M+CH3COO]- 364.053491 198.2
[M+Na-2H]- 326.014306 172.6
[M]+ 305.03909142 160.6
[M]- 305.04018858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe