CID 3063604

Benzenecarboximidamide, 4-(2-(4-(aminomethyl)phenyl)ethyl)-n-(2-phenylethyl)-, dihydrochloride

Structural Information

Molecular Formula
C24H27N3
SMILES
C1=CC=C(C=C1)CCN=C(C2=CC=C(C=C2)CCC3=CC=C(C=C3)CN)N
InChI
InChI=1S/C24H27N3/c25-18-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)24(26)27-17-16-19-4-2-1-3-5-19/h1-5,8-15H,6-7,16-18,25H2,(H2,26,27)
InChIKey
ZNQNAVNWLWUMGP-UHFFFAOYSA-N
Compound name
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.2205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 189.6
[M+Na]+ 380.20972 192.9
[M-H]- 356.21322 198.4
[M+NH4]+ 375.25432 200.8
[M+K]+ 396.18366 186.1
[M+H-H2O]+ 340.21776 178.8
[M+HCOO]- 402.21870 214.2
[M+CH3COO]- 416.23435 225.7
[M+Na-2H]- 378.19517 191.9
[M]+ 357.21995 186.6
[M]- 357.22105 186.6
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