CID 54637

80785-00-8

Structural Information

Molecular Formula
C29H37N3O
SMILES
CCCCN(CCCC)CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C29H37N3O/c1-3-5-21-32(22-6-4-2)23-24-33-28-19-17-27(18-20-28)31-29(25-13-9-7-10-14-25)30-26-15-11-8-12-16-26/h7-20H,3-6,21-24H2,1-2H3,(H,30,31)
InChIKey
CCEAEDHPRLVVGB-UHFFFAOYSA-N
Compound name
N'-[4-[2-(dibutylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.29367 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.30095 215.0
[M+Na]+ 466.28289 214.9
[M-H]- 442.28639 224.6
[M+NH4]+ 461.32749 223.2
[M+K]+ 482.25683 209.7
[M+H-H2O]+ 426.29093 202.2
[M+HCOO]- 488.29187 239.6
[M+CH3COO]- 502.30752 244.7
[M+Na-2H]- 464.26834 216.5
[M]+ 443.29312 217.5
[M]- 443.29422 217.5
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.