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

69820
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 168.5
[M+Na]+ 306.15768 173.9
[M-H]- 282.16118 174.3
[M+NH4]+ 301.20228 180.5
[M+K]+ 322.13162 168.8
[M+H-H2O]+ 266.16572 157.8
[M+HCOO]- 328.16666 186.7
[M+CH3COO]- 342.18231 178.2
[M+Na-2H]- 304.14313 171.7
[M]+ 283.16791 163.5
[M]- 283.16901 163.5
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