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]+ 374.222696 193.1
[M+Na]+ 396.204638 197.0
[M-H]- 372.208144 200.5
[M+NH4]+ 391.249243 200.4
[M+K]+ 412.178578 189.3
[M+H-H2O]+ 356.212680 180.5
[M+HCOO]- 418.213621 209.1
[M+CH3COO]- 432.229271 200.4
[M+Na-2H]- 394.190086 194.9
[M]+ 373.21487142 187.2
[M]- 373.21596858 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.