CID 253571

90754-81-7

Structural Information

Molecular Formula
C16H12N2O5
SMILES
C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H12N2O5/c19-16(11-2-4-13-15(6-11)23-9-21-13)18-17-7-10-1-3-12-14(5-10)22-8-20-12/h1-7H,8-9H2,(H,18,19)
InChIKey
ZLEXMGDSSQQDGN-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.07462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08190 167.6
[M+Na]+ 335.06384 174.8
[M-H]- 311.06734 180.0
[M+NH4]+ 330.10844 181.9
[M+K]+ 351.03778 176.5
[M+H-H2O]+ 295.07188 162.3
[M+HCOO]- 357.07282 189.3
[M+CH3COO]- 371.08847 180.4
[M+Na-2H]- 333.04929 174.5
[M]+ 312.07407 172.4
[M]- 312.07517 172.4
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

patents stripe