CID 20136253

2-methoxy-4-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C12H19N3O
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)N)OC
InChI
InChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8,13H2,1-2H3
InChIKey
LUYPGLRYFIVYTH-UHFFFAOYSA-N
Compound name
2-methoxy-4-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

587
Patents

221.15282 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.6
[M+Na]+ 244.14204 159.0
[M-H]- 220.14554 155.8
[M+NH4]+ 239.18664 167.9
[M+K]+ 260.11598 155.9
[M+H-H2O]+ 204.15008 143.8
[M+HCOO]- 266.15102 171.3
[M+CH3COO]- 280.16667 192.1
[M+Na-2H]- 242.12749 155.9
[M]+ 221.15227 148.6
[M]- 221.15337 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe