CID 267622

Nsc107154

Structural Information

Molecular Formula
C29H20N2O7
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)OC(=O)OC4=CC=C(C=C4)N=CC5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C29H20N2O7/c32-29(37-23-7-3-21(4-8-23)30-15-19-1-11-25-27(13-19)35-17-33-25)38-24-9-5-22(6-10-24)31-16-20-2-12-26-28(14-20)36-18-34-26/h1-16H,17-18H2
InChIKey
YWHDQYGLZBNNDJ-UHFFFAOYSA-N
Compound name
bis[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.12704 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.13432 217.1
[M+Na]+ 531.11626 222.7
[M-H]- 507.11976 236.3
[M+NH4]+ 526.16086 222.9
[M+K]+ 547.09020 224.1
[M+H-H2O]+ 491.12430 208.5
[M+HCOO]- 553.12524 238.1
[M+CH3COO]- 567.14089 226.7
[M+Na-2H]- 529.10171 219.5
[M]+ 508.12649 224.7
[M]- 508.12759 224.7
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.