CID 3061260

Brn 4573739

Structural Information

Molecular Formula
C24H27N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC=CC=C4O
InChI
InChI=1S/C24H27N3O/c1-19-6-2-4-8-23(19)27-16-14-26(15-17-27)22-12-10-21(11-13-22)25-18-20-7-3-5-9-24(20)28/h2-13,25,28H,14-18H2,1H3
InChIKey
VVEMUWGJFZUFRX-UHFFFAOYSA-N
Compound name
2-[[4-[4-(2-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 193.1
[M+Na]+ 396.20464 197.0
[M-H]- 372.20814 200.5
[M+NH4]+ 391.24924 200.4
[M+K]+ 412.17858 189.3
[M+H-H2O]+ 356.21268 180.5
[M+HCOO]- 418.21362 209.1
[M+CH3COO]- 432.22927 200.4
[M+Na-2H]- 394.19009 194.9
[M]+ 373.21487 187.2
[M]- 373.21597 187.2
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.