CID 3058944

Brn 1437589

Structural Information

Molecular Formula
C15H12N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC=NC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C15H12N2O4/c1-3-12-14(20-8-18-12)5-10(1)16-7-17-11-2-4-13-15(6-11)21-9-19-13/h1-7H,8-9H2,(H,16,17)
InChIKey
KMUUPTQOZOHGFN-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3-benzodioxol-5-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 159.4
[M+Na]+ 307.06892 167.3
[M-H]- 283.07242 171.8
[M+NH4]+ 302.11352 175.1
[M+K]+ 323.04286 168.6
[M+H-H2O]+ 267.07696 154.2
[M+HCOO]- 329.07790 182.2
[M+CH3COO]- 343.09355 172.9
[M+Na-2H]- 305.05437 167.9
[M]+ 284.07915 163.9
[M]- 284.08025 163.9
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.