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 158.2
[M+Na]+ 268.14204 163.5
[M-H]- 244.14554 162.7
[M+NH4]+ 263.18664 173.0
[M+K]+ 284.11598 160.5
[M+H-H2O]+ 228.15008 148.7
[M+HCOO]- 290.15102 177.8
[M+CH3COO]- 304.16667 198.7
[M+Na-2H]- 266.12749 161.6
[M]+ 245.15227 155.3
[M]- 245.15337 155.3
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.