CID 9570382

Brn 0537571

Structural Information

Molecular Formula
C19H21N3O
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O/c1-21-11-13-22(14-12-21)20-15-19(23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/b20-15+
InChIKey
VIVBUFPCVJRHEX-HMMYKYKNSA-N
Compound name
(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 174.5
[M+Na]+ 330.15768 178.8
[M-H]- 306.16118 181.5
[M+NH4]+ 325.20228 185.9
[M+K]+ 346.13162 173.7
[M+H-H2O]+ 290.16572 163.0
[M+HCOO]- 352.16666 193.5
[M+CH3COO]- 366.18231 209.6
[M+Na-2H]- 328.14313 177.7
[M]+ 307.16791 170.4
[M]- 307.16901 170.4
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.