CID 33144

N,n',n''-tribenzylguanidine trihydrochloride

Structural Information

Molecular Formula
C22H23N3
SMILES
C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C22H23N3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,23,24,25)
InChIKey
CRQXNVPOHIITIU-UHFFFAOYSA-N
Compound name
1,2,3-tribenzylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

34
Patents

329.1892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19648 178.7
[M+Na]+ 352.17842 181.1
[M-H]- 328.18192 188.2
[M+NH4]+ 347.22302 191.1
[M+K]+ 368.15236 175.3
[M+H-H2O]+ 312.18646 168.0
[M+HCOO]- 374.18740 205.3
[M+CH3COO]- 388.20305 188.3
[M+Na-2H]- 350.16387 185.7
[M]+ 329.18865 176.0
[M]- 329.18975 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe