CID 9570424

25561-47-1

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]+ 246.160096 158.2
[M+Na]+ 268.142038 163.5
[M-H]- 244.145544 162.7
[M+NH4]+ 263.186643 173.0
[M+K]+ 284.115978 160.5
[M+H-H2O]+ 228.150080 148.7
[M+HCOO]- 290.151021 177.8
[M+CH3COO]- 304.166671 198.7
[M+Na-2H]- 266.127486 161.6
[M]+ 245.15227142 155.3
[M]- 245.15336858 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.