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 208.3
[M+Na]+ 458.22027 209.4
[M-H]- 434.22377 221.3
[M+NH4]+ 453.26487 216.1
[M+K]+ 474.19421 203.8
[M+H-H2O]+ 418.22831 195.0
[M+HCOO]- 480.22925 233.9
[M+CH3COO]- 494.24490 216.0
[M+Na-2H]- 456.20572 212.5
[M]+ 435.23050 207.9
[M]- 435.23160 207.9
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.