CID 207902

Benzamidine, n-(p-(2-(diisopropylamino)ethoxy)phenyl)-n'-isobutyl-

Structural Information

Molecular Formula
C25H37N3O
SMILES
CC(C)CN=C(C1=CC=CC=C1)NC2=CC=C(C=C2)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C25H37N3O/c1-19(2)18-26-25(22-10-8-7-9-11-22)27-23-12-14-24(15-13-23)29-17-16-28(20(3)4)21(5)6/h7-15,19-21H,16-18H2,1-6H3,(H,26,27)
InChIKey
PNCJEHGVWWTKCG-UHFFFAOYSA-N
Compound name
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N'-(2-methylpropyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.29367 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.30095 204.6
[M+Na]+ 418.28289 213.6
[M+NH4]+ 413.32749 210.9
[M+K]+ 434.25683 206.5
[M-H]- 394.28639 210.2
[M+Na-2H]- 416.26834 210.9
[M]+ 395.29312 207.2
[M]- 395.29422 207.2
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

No patent data available for this compound.