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

106
Patents

239.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 155.4
[M+Na]+ 262.13146 159.2
[M-H]- 238.13496 162.3
[M+NH4]+ 257.17606 171.7
[M+K]+ 278.10540 155.9
[M+H-H2O]+ 222.13950 146.8
[M+HCOO]- 284.14044 181.6
[M+CH3COO]- 298.15609 202.0
[M+Na-2H]- 260.11691 161.1
[M]+ 239.14169 151.6
[M]- 239.14279 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