CID 9570131

1-benzyl-3-(benzylideneamino)guanidine

Structural Information

Molecular Formula
C15H16N4
SMILES
C1=CC=C(C=C1)CN=C(N)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C15H16N4/c16-15(17-11-13-7-3-1-4-8-13)19-18-12-14-9-5-2-6-10-14/h1-10,12H,11H2,(H3,16,17,19)/b18-12+
InChIKey
CPMKRFFCBDRVSY-LDADJPATSA-N
Compound name
2-benzyl-1-[(E)-benzylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14478 160.7
[M+Na]+ 275.12672 171.8
[M+NH4]+ 270.17132 168.9
[M+K]+ 291.10066 163.6
[M-H]- 251.13022 167.8
[M+Na-2H]- 273.11217 170.8
[M]+ 252.13695 164.0
[M]- 252.13805 164.0
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.