CID 154406

74852-62-3

Structural Information

Molecular Formula
C17H21N3O
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3
InChIKey
VXEGSRKPIUDPQT-UHFFFAOYSA-N
Compound name
4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69815
Patents

283.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 169.0
[M+Na]+ 306.15768 183.2
[M+NH4]+ 301.20228 177.3
[M+K]+ 322.13162 175.0
[M-H]- 282.16118 175.3
[M+Na-2H]- 304.14313 178.5
[M]+ 283.16791 172.8
[M]- 283.16901 172.8
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

patents stripe