CID 100806

Mpmap

Structural Information

Molecular Formula
C15H20N2O
SMILES
CN1CCN(CC1)CC(=C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O/c1-13(12-17-10-8-16(2)9-11-17)15(18)14-6-4-3-5-7-14/h3-7H,1,8-12H2,2H3
InChIKey
UTSBHQHXGFVJMV-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

244.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 158.8
[M+Na]+ 267.146778 162.8
[M-H]- 243.150284 161.3
[M+NH4]+ 262.191383 172.7
[M+K]+ 283.120718 159.2
[M+H-H2O]+ 227.154820 149.6
[M+HCOO]- 289.155761 174.4
[M+CH3COO]- 303.171411 194.6
[M+Na-2H]- 265.132226 160.3
[M]+ 244.15701142 154.0
[M]- 244.15810858 154.0
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