CID 54665

P-(2-(diisopropylamino)ethyl)-n,n'-diphenyl-benzamidine dihydrochloride

Structural Information

Molecular Formula
C27H33N3
SMILES
CC(C)N(CCC1=CC=C(C=C1)C(=NC2=CC=CC=C2)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H33N3/c1-21(2)30(22(3)4)20-19-23-15-17-24(18-16-23)27(28-25-11-7-5-8-12-25)29-26-13-9-6-10-14-26/h5-18,21-22H,19-20H2,1-4H3,(H,28,29)
InChIKey
VVHQCVHRIGVITL-UHFFFAOYSA-N
Compound name
4-[2-[di(propan-2-yl)amino]ethyl]-N,N'-diphenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.26746 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.27474 205.6
[M+Na]+ 422.25668 218.0
[M+NH4]+ 417.30128 213.6
[M+K]+ 438.23062 208.5
[M-H]- 398.26018 214.8
[M+Na-2H]- 420.24213 216.3
[M]+ 399.26691 210.0
[M]- 399.26801 210.0
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.