CID 371171

Nsc645172

Structural Information

Molecular Formula
C27H23NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)NC4=CC=CC=C4
InChI
InChI=1S/C27H23NO3/c29-27(21-7-3-1-4-8-21)22-11-15-25(16-12-22)30-19-20-31-26-17-13-24(14-18-26)28-23-9-5-2-6-10-23/h1-18,28H,19-20H2
InChIKey
GOQMAVNCFPLIOZ-UHFFFAOYSA-N
Compound name
[4-[2-(4-anilinophenoxy)ethoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1678 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17508 200.2
[M+Na]+ 432.15702 203.8
[M-H]- 408.16052 211.5
[M+NH4]+ 427.20162 208.5
[M+K]+ 448.13096 197.9
[M+H-H2O]+ 392.16506 187.9
[M+HCOO]- 454.16600 222.8
[M+CH3COO]- 468.18165 208.7
[M+Na-2H]- 430.14247 203.7
[M]+ 409.16725 200.6
[M]- 409.16835 200.6
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.