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]+ 285.086976 159.4
[M+Na]+ 307.068918 167.3
[M-H]- 283.072424 171.8
[M+NH4]+ 302.113523 175.1
[M+K]+ 323.042858 168.6
[M+H-H2O]+ 267.076960 154.2
[M+HCOO]- 329.077901 182.2
[M+CH3COO]- 343.093551 172.9
[M+Na-2H]- 305.054366 167.9
[M]+ 284.07915142 163.9
[M]- 284.08024858 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.