CID 6338223

33244-00-7

Structural Information

Molecular Formula
C13H13N3
SMILES
C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2)/N
InChI
InChI=1S/C13H13N3/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16)
InChIKey
ZOBKPJRHDMKXQG-UHFFFAOYSA-N
Compound name
N'-anilinobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

211.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 145.3
[M+Na]+ 234.10017 150.3
[M-H]- 210.10367 152.5
[M+NH4]+ 229.14477 162.9
[M+K]+ 250.07411 146.9
[M+H-H2O]+ 194.10821 137.1
[M+HCOO]- 256.10915 173.2
[M+CH3COO]- 270.12480 195.1
[M+Na-2H]- 232.08562 153.4
[M]+ 211.11040 141.4
[M]- 211.11150 141.4
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