CID 54633

Benzamidine, n-(p-(3-(diisopropylamino)propoxy)phenyl)-n'-phenyl-, dihydrobromide

Structural Information

Molecular Formula
C28H35N3O
SMILES
CC(C)N(CCCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H35N3O/c1-22(2)31(23(3)4)20-11-21-32-27-18-16-26(17-19-27)30-28(24-12-7-5-8-13-24)29-25-14-9-6-10-15-25/h5-10,12-19,22-23H,11,20-21H2,1-4H3,(H,29,30)
InChIKey
KPXXQRRHWHWRAN-UHFFFAOYSA-N
Compound name
N'-[4-[3-[di(propan-2-yl)amino]propoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.278 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.28528 211.7
[M+Na]+ 452.26722 211.5
[M-H]- 428.27072 221.8
[M+NH4]+ 447.31182 220.4
[M+K]+ 468.24116 207.8
[M+H-H2O]+ 412.27526 199.6
[M+HCOO]- 474.27620 234.7
[M+CH3COO]- 488.29185 243.5
[M+Na-2H]- 450.25267 211.4
[M]+ 429.27745 212.8
[M]- 429.27855 212.8
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.