CID 54641

Benzamidine, n-(p-(2-(benzylmethylamino)ethoxy)phenyl)-n'-phenyl-, dihydrobromide, hydrate

Structural Information

Molecular Formula
C29H29N3O
SMILES
CN(CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C29H29N3O/c1-32(23-24-11-5-2-6-12-24)21-22-33-28-19-17-27(18-20-28)31-29(25-13-7-3-8-14-25)30-26-15-9-4-10-16-26/h2-20H,21-23H2,1H3,(H,30,31)
InChIKey
CESSXVZMEJAALB-UHFFFAOYSA-N
Compound name
N'-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.23105 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23833 213.6
[M+Na]+ 458.22027 228.6
[M+NH4]+ 453.26487 221.9
[M+K]+ 474.19421 217.0
[M-H]- 434.22377 225.2
[M+Na-2H]- 456.20572 227.7
[M]+ 435.23050 219.2
[M]- 435.23160 219.2
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.