CID 54666

Brn 5141634

Structural Information

Molecular Formula
C28H27N3O
SMILES
CN(CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H27N3O/c1-31(26-15-9-4-10-16-26)21-22-32-27-19-17-25(18-20-27)30-28(23-11-5-2-6-12-23)29-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,29,30)
InChIKey
UBTNLNDCRLQHBV-UHFFFAOYSA-N
Compound name
N'-[4-[2-(N-methylanilino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.21542 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22270 204.0
[M+Na]+ 444.20464 205.6
[M-H]- 420.20814 217.2
[M+NH4]+ 439.24924 212.4
[M+K]+ 460.17858 200.2
[M+H-H2O]+ 404.21268 190.9
[M+HCOO]- 466.21362 229.9
[M+CH3COO]- 480.22927 212.2
[M+Na-2H]- 442.19009 208.7
[M]+ 421.21487 203.3
[M]- 421.21597 203.3
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.