CID 207900

Brn 2182428

Structural Information

Molecular Formula
C27H39N3O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)NC(=NC2CCCCC2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H39N3O/c1-21(2)30(22(3)4)19-20-31-26-17-15-25(16-18-26)29-27(23-11-7-5-8-12-23)28-24-13-9-6-10-14-24/h5,7-8,11-12,15-18,21-22,24H,6,9-10,13-14,19-20H2,1-4H3,(H,28,29)
InChIKey
YPJCCNFMKKHLHN-UHFFFAOYSA-N
Compound name
N'-cyclohexyl-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

421.30933 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.31661 208.8
[M+Na]+ 444.29855 206.0
[M-H]- 420.30205 217.9
[M+NH4]+ 439.34315 217.7
[M+K]+ 460.27249 203.2
[M+H-H2O]+ 404.30659 197.1
[M+HCOO]- 466.30753 227.9
[M+CH3COO]- 480.32318 241.8
[M+Na-2H]- 442.28400 206.2
[M]+ 421.30878 205.3
[M]- 421.30988 205.3
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.