CID 3058947

Brn 1435880

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O2/c1-3-7-15(8-4-1)20(21-16-9-5-2-6-10-16)22-17-11-12-18-19(13-17)24-14-23-18/h1-13H,14H2,(H,21,22)
InChIKey
JWZOZSAZNMHXEN-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-N'-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 172.6
[M+Na]+ 339.110418 178.2
[M-H]- 315.113924 185.3
[M+NH4]+ 334.155023 186.2
[M+K]+ 355.084358 175.8
[M+H-H2O]+ 299.118460 163.7
[M+HCOO]- 361.119401 196.6
[M+CH3COO]- 375.135051 184.3
[M+Na-2H]- 337.095866 179.8
[M]+ 316.12065142 172.7
[M]- 316.12174858 172.7
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.