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]+ 422.222696 204.0
[M+Na]+ 444.204638 205.6
[M-H]- 420.208144 217.2
[M+NH4]+ 439.249243 212.4
[M+K]+ 460.178578 200.2
[M+H-H2O]+ 404.212680 190.9
[M+HCOO]- 466.213621 229.9
[M+CH3COO]- 480.229271 212.2
[M+Na-2H]- 442.190086 208.7
[M]+ 421.21487142 203.3
[M]- 421.21596858 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.