CID 3061256

Brn 4571972

Structural Information

Molecular Formula
C23H25N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=CC=C4O
InChI
InChI=1S/C23H25N3O/c27-23-9-5-4-6-19(23)18-24-20-10-12-22(13-11-20)26-16-14-25(15-17-26)21-7-2-1-3-8-21/h1-13,24,27H,14-18H2
InChIKey
LGRXESWIAKXWFW-UHFFFAOYSA-N
Compound name
2-[[4-(4-phenylpiperazin-1-yl)anilino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 187.7
[M+Na]+ 382.18899 191.1
[M-H]- 358.19249 194.9
[M+NH4]+ 377.23359 195.2
[M+K]+ 398.16293 183.5
[M+H-H2O]+ 342.19703 175.1
[M+HCOO]- 404.19797 204.0
[M+CH3COO]- 418.21362 195.1
[M+Na-2H]- 380.17444 190.9
[M]+ 359.19922 181.0
[M]- 359.20032 181.0
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.