CID 216435

Dtxsid801199775

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN1C=CC=C1C=C2CCCC(=CC3=CC=CN3C)C2=O
InChI
InChI=1S/C18H20N2O/c1-19-10-4-8-16(19)12-14-6-3-7-15(18(14)21)13-17-9-5-11-20(17)2/h4-5,8-13H,3,6-7H2,1-2H3
InChIKey
VTZLPXIVTAFLQG-UHFFFAOYSA-N
Compound name
2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 167.4
[M+Na]+ 303.146778 176.0
[M-H]- 279.150284 175.1
[M+NH4]+ 298.191383 184.5
[M+K]+ 319.120718 169.9
[M+H-H2O]+ 263.154820 158.9
[M+HCOO]- 325.155761 188.7
[M+CH3COO]- 339.171411 179.2
[M+Na-2H]- 301.132226 165.2
[M]+ 280.15701142 165.9
[M]- 280.15810858 165.9
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.