CID 54645

80785-08-6

Structural Information

Molecular Formula
C26H29N3O
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C26H29N3O/c1-4-10-22(11-5-1)26(27-23-12-6-2-7-13-23)28-24-14-16-25(17-15-24)30-21-20-29-18-8-3-9-19-29/h1-2,4-7,10-17H,3,8-9,18-21H2,(H,27,28)
InChIKey
DYALBHGUHWDYTC-UHFFFAOYSA-N
Compound name
N-phenyl-N'-[4-(2-piperidin-1-ylethoxy)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.23105 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23833 197.2
[M+Na]+ 422.22027 197.3
[M-H]- 398.22377 207.0
[M+NH4]+ 417.26487 204.7
[M+K]+ 438.19421 191.1
[M+H-H2O]+ 382.22831 183.9
[M+HCOO]- 444.22925 216.9
[M+CH3COO]- 458.24490 204.0
[M+Na-2H]- 420.20572 200.4
[M]+ 399.23050 191.6
[M]- 399.23160 191.6
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.