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]+ 317.12848 172.6
[M+Na]+ 339.11042 178.2
[M-H]- 315.11392 185.3
[M+NH4]+ 334.15502 186.2
[M+K]+ 355.08436 175.8
[M+H-H2O]+ 299.11846 163.7
[M+HCOO]- 361.11940 196.6
[M+CH3COO]- 375.13505 184.3
[M+Na-2H]- 337.09587 179.8
[M]+ 316.12065 172.7
[M]- 316.12175 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.