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]+ 402.217606 197.5
[M+Na]+ 424.199548 198.3
[M-H]- 400.203054 208.2
[M+NH4]+ 419.244153 203.7
[M+K]+ 440.173488 193.9
[M+H-H2O]+ 384.207590 184.3
[M+HCOO]- 446.208531 216.9
[M+CH3COO]- 460.224181 204.7
[M+Na-2H]- 422.184996 201.8
[M]+ 401.20978142 193.6
[M]- 401.21087858 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.