CID 3061258

Brn 4576868

Structural Information

Molecular Formula
C25H29N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)OC
InChI
InChI=1S/C25H29N3O/c1-20-5-3-4-6-25(20)28-17-15-27(16-18-28)23-11-9-22(10-12-23)26-19-21-7-13-24(29-2)14-8-21/h3-14,26H,15-19H2,1-2H3
InChIKey
OUOVBFUSEIWQPV-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.23105 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23833 197.9
[M+Na]+ 410.22027 201.6
[M-H]- 386.22377 206.3
[M+NH4]+ 405.26487 205.2
[M+K]+ 426.19421 194.5
[M+H-H2O]+ 370.22831 184.5
[M+HCOO]- 432.22925 214.9
[M+CH3COO]- 446.24490 205.3
[M+Na-2H]- 408.20572 199.4
[M]+ 387.23050 193.9
[M]- 387.23160 193.9
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.