CID 3061257

Brn 4599066

Structural Information

Molecular Formula
C30H31N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C30H31N3O/c1-3-7-26(8-4-1)24-34-30-17-11-25(12-18-30)23-31-27-13-15-29(16-14-27)33-21-19-32(20-22-33)28-9-5-2-6-10-28/h1-18,31H,19-24H2
InChIKey
BFRFWVQATCVQGZ-UHFFFAOYSA-N
Compound name
N-[(4-phenylmethoxyphenyl)methyl]-4-(4-phenylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.2467 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.25398 212.0
[M+Na]+ 472.23592 213.6
[M-H]- 448.23942 222.1
[M+NH4]+ 467.28052 215.4
[M+K]+ 488.20986 204.9
[M+H-H2O]+ 432.24396 196.5
[M+HCOO]- 494.24490 227.9
[M+CH3COO]- 508.26055 217.4
[M+Na-2H]- 470.22137 214.0
[M]+ 449.24615 206.1
[M]- 449.24725 206.1
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.