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]+ 360.207046 187.7
[M+Na]+ 382.188988 191.1
[M-H]- 358.192494 194.9
[M+NH4]+ 377.233593 195.2
[M+K]+ 398.162928 183.5
[M+H-H2O]+ 342.197030 175.1
[M+HCOO]- 404.197971 204.0
[M+CH3COO]- 418.213621 195.1
[M+Na-2H]- 380.174436 190.9
[M]+ 359.19922142 181.0
[M]- 359.20031858 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.