CID 3683769

175692-06-5

Structural Information

Molecular Formula
C13H12N2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(=N)N
InChI
InChI=1S/C13H12N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15)
InChIKey
LNUYLGUBVHEHEL-UHFFFAOYSA-N
Compound name
2-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

196.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.107326 142.4
[M+Na]+ 219.089268 148.8
[M-H]- 195.092774 148.7
[M+NH4]+ 214.133873 160.5
[M+K]+ 235.063208 144.5
[M+H-H2O]+ 179.097310 135.1
[M+HCOO]- 241.098251 167.8
[M+CH3COO]- 255.113901 189.3
[M+Na-2H]- 217.074716 148.9
[M]+ 196.09950142 137.8
[M]- 196.10059858 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

literature stripe

Patent stripe

patents stripe