CID 54651

Brn 2178489

Structural Information

Molecular Formula
C27H32ClN3O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H32ClN3O/c1-20(2)31(21(3)4)18-19-32-26-16-14-25(15-17-26)30-27(22-8-6-5-7-9-22)29-24-12-10-23(28)11-13-24/h5-17,20-21H,18-19H2,1-4H3,(H,29,30)
InChIKey
BGVXVPWRMXNYGV-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.2234 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.23068 215.1
[M+Na]+ 472.21262 217.2
[M-H]- 448.21612 225.7
[M+NH4]+ 467.25722 224.4
[M+K]+ 488.18656 212.1
[M+H-H2O]+ 432.22066 204.1
[M+HCOO]- 494.22160 234.1
[M+CH3COO]- 508.23725 245.2
[M+Na-2H]- 470.19807 214.1
[M]+ 449.22285 219.1
[M]- 449.22395 219.1
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.