CID 9570424

Brn 0520514

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC1=CC=C(C=C1)C(=O)/C=N/N2CCN(CC2)C
InChI
InChI=1S/C14H19N3O/c1-12-3-5-13(6-4-12)14(18)11-15-17-9-7-16(2)8-10-17/h3-6,11H,7-10H2,1-2H3/b15-11+
InChIKey
PLNFNWUUHPIZQJ-RVDMUPIBSA-N
Compound name
(2E)-1-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 158.6
[M+Na]+ 268.14204 170.6
[M+NH4]+ 263.18664 166.0
[M+K]+ 284.11598 163.6
[M-H]- 244.14554 162.0
[M+Na-2H]- 266.12749 165.5
[M]+ 245.15227 161.0
[M]- 245.15337 161.0
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.