CID 3075787

2h-2-pyrindine-4-carbonitrile, 3,5,6,7-tetrahydro-5-((dimethylamino)methylene)-2-ethyl-3-oxo-

Structural Information

Molecular Formula
C14H17N3O
SMILES
CCN1C=C2CC/C(=C\N(C)C)/C2=C(C1=O)C#N
InChI
InChI=1S/C14H17N3O/c1-4-17-9-11-6-5-10(8-16(2)3)13(11)12(7-15)14(17)18/h8-9H,4-6H2,1-3H3/b10-8+
InChIKey
GDAPOYMHTWXEJZ-CSKARUKUSA-N
Compound name
(5E)-5-(dimethylaminomethylidene)-2-ethyl-3-oxo-6,7-dihydrocyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 157.0
[M+Na]+ 266.126378 168.0
[M-H]- 242.129884 160.9
[M+NH4]+ 261.170983 174.9
[M+K]+ 282.100318 163.0
[M+H-H2O]+ 226.134420 143.6
[M+HCOO]- 288.135361 176.1
[M+CH3COO]- 302.151011 210.9
[M+Na-2H]- 264.111826 158.7
[M]+ 243.13661142 153.7
[M]- 243.13770858 153.7
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.