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 156.7
[M+Na]+ 275.12672 160.8
[M-H]- 251.13022 164.9
[M+NH4]+ 270.17132 173.0
[M+K]+ 291.10066 157.3
[M+H-H2O]+ 235.13476 147.4
[M+HCOO]- 297.13570 186.6
[M+CH3COO]- 311.15135 206.6
[M+Na-2H]- 273.11217 164.6
[M]+ 252.13695 153.8
[M]- 252.13805 153.8
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.