CID 9570131

3458-35-3

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]+ 253.144776 156.7
[M+Na]+ 275.126718 160.8
[M-H]- 251.130224 164.9
[M+NH4]+ 270.171323 173.0
[M+K]+ 291.100658 157.3
[M+H-H2O]+ 235.134760 147.4
[M+HCOO]- 297.135701 186.6
[M+CH3COO]- 311.151351 206.6
[M+Na-2H]- 273.112166 164.6
[M]+ 252.13695142 153.8
[M]- 252.13804858 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.