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 205.9
[M+Na]+ 418.28289 205.7
[M-H]- 394.28639 213.3
[M+NH4]+ 413.32749 216.7
[M+K]+ 434.25683 203.8
[M+H-H2O]+ 378.29093 195.3
[M+HCOO]- 440.29187 227.8
[M+CH3COO]- 454.30752 240.0
[M+Na-2H]- 416.26834 203.2
[M]+ 395.29312 208.2
[M]- 395.29422 208.2
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.