CID 54629

Benzamidine, n-(m-(2-(diisopropylamino)ethoxy)phenyl)-n'-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C27H33N3O
SMILES
CC(C)N(CCOC1=CC=CC(=C1)NC(=NC2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H33N3O/c1-21(2)30(22(3)4)18-19-31-26-17-11-16-25(20-26)29-27(23-12-7-5-8-13-23)28-24-14-9-6-10-15-24/h5-17,20-22H,18-19H2,1-4H3,(H,28,29)
InChIKey
JKMZPXFSVPHSSQ-UHFFFAOYSA-N
Compound name
N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N'-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.26236 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26964 207.3
[M+Na]+ 438.25158 207.5
[M-H]- 414.25508 217.6
[M+NH4]+ 433.29618 216.6
[M+K]+ 454.22552 204.1
[M+H-H2O]+ 398.25962 195.4
[M+HCOO]- 460.26056 230.6
[M+CH3COO]- 474.27621 240.7
[M+Na-2H]- 436.23703 207.5
[M]+ 415.26181 208.0
[M]- 415.26291 208.0
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.