CID 9487

N,n-dibenzylguanidine hydrochloride

Structural Information

Molecular Formula
C15H17N3
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C15H17N3/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17)
InChIKey
MRXBEVRHPUOYNF-UHFFFAOYSA-N
Compound name
1,1-dibenzylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

239.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.149516 155.4
[M+Na]+ 262.131458 159.2
[M-H]- 238.134964 162.3
[M+NH4]+ 257.176063 171.7
[M+K]+ 278.105398 155.9
[M+H-H2O]+ 222.139500 146.8
[M+HCOO]- 284.140441 181.6
[M+CH3COO]- 298.156091 202.0
[M+Na-2H]- 260.116906 161.1
[M]+ 239.14169142 151.6
[M]- 239.14278858 151.6
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

patents stripe