CID 54643

80785-04-2

Structural Information

Molecular Formula
C25H27N3O2
SMILES
C1COCCN1CCOC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C25H27N3O2/c1-3-7-21(8-4-1)25(26-22-9-5-2-6-10-22)27-23-11-13-24(14-12-23)30-20-17-28-15-18-29-19-16-28/h1-14H,15-20H2,(H,26,27)
InChIKey
YUKHMXHTAHACFM-UHFFFAOYSA-N
Compound name
N'-[4-(2-morpholin-4-ylethoxy)phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 197.5
[M+Na]+ 424.19955 198.3
[M-H]- 400.20305 208.2
[M+NH4]+ 419.24415 203.7
[M+K]+ 440.17349 193.9
[M+H-H2O]+ 384.20759 184.3
[M+HCOO]- 446.20853 216.9
[M+CH3COO]- 460.22418 204.7
[M+Na-2H]- 422.18500 201.8
[M]+ 401.20978 193.6
[M]- 401.21088 193.6
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.