CID 3564407

3-phenylbenzenecarboximidamide

Structural Information

Molecular Formula
C13H12N2
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C(=N)N
InChI
InChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15)
InChIKey
XIUZVALKFSSETK-UHFFFAOYSA-N
Compound name
3-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

196.10005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10733 142.4
[M+Na]+ 219.08927 148.8
[M-H]- 195.09277 148.7
[M+NH4]+ 214.13387 160.5
[M+K]+ 235.06321 144.5
[M+H-H2O]+ 179.09731 135.1
[M+HCOO]- 241.09825 167.8
[M+CH3COO]- 255.11390 189.3
[M+Na-2H]- 217.07472 148.9
[M]+ 196.09950 137.8
[M]- 196.10060 137.8
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.