CID 3061263

Brn 4579524

Structural Information

Molecular Formula
C24H27N3O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC=CC=C4O
InChI
InChI=1S/C24H27N3O/c1-19-6-10-22(11-7-19)26-14-16-27(17-15-26)23-12-8-21(9-13-23)25-18-20-4-2-3-5-24(20)28/h2-13,25,28H,14-18H2,1H3
InChIKey
YBNCICDEOBWNDT-UHFFFAOYSA-N
Compound name
2-[[4-[4-(4-methylphenyl)piperazin-1-yl]anilino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 196.0
[M+Na]+ 396.20464 211.7
[M+NH4]+ 391.24924 204.0
[M+K]+ 412.17858 201.7
[M-H]- 372.20814 204.6
[M+Na-2H]- 394.19009 207.2
[M]+ 373.21487 200.8
[M]- 373.21597 200.8
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.