CID 3056618

73816-38-3

Structural Information

Molecular Formula
C15H13N5O8
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)NC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H13N5O8/c21-13-11-9-3-4-10(28-9)12(11)14(22)18(13)17-15(23)16-7-2-1-6(19(24)25)5-8(7)20(26)27/h1-2,5,9-12H,3-4H2,(H2,16,17,23)
InChIKey
LZRMHLVJPLJGNZ-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.07642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08370 183.1
[M+Na]+ 414.06564 188.7
[M+NH4]+ 409.11024 187.0
[M+K]+ 430.03958 197.6
[M-H]- 390.06914 186.1
[M+Na-2H]- 412.05109 180.2
[M]+ 391.07587 183.6
[M]- 391.07697 183.6
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.