CID 55417

Brn 4543413

Structural Information

Molecular Formula
C19H24ClN3O
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN3O/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15,21H2
InChIKey
YVSOYHIBFVYDRT-UHFFFAOYSA-N
Compound name
4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

345.1608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16808 183.6
[M+Na]+ 368.15002 188.7
[M-H]- 344.15352 188.6
[M+NH4]+ 363.19462 193.8
[M+K]+ 384.12396 181.7
[M+H-H2O]+ 328.15806 172.7
[M+HCOO]- 390.15900 196.4
[M+CH3COO]- 404.17465 191.9
[M+Na-2H]- 366.13547 185.2
[M]+ 345.16025 181.4
[M]- 345.16135 181.5
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