CID 71308570

6-(2,2-dicyanovinyl)-n-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1CC2=C(C=CC(=C2)CC(C#N)C#N)N(C1)CCO
InChI
InChI=1S/C15H17N3O/c16-10-13(11-17)8-12-3-4-15-14(9-12)2-1-5-18(15)6-7-19/h3-4,9,13,19H,1-2,5-8H2
InChIKey
ANBPREOOKGEEDY-UHFFFAOYSA-N
Compound name
2-[[1-(2-hydroxyethyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 165.5
[M+Na]+ 278.12638 174.1
[M-H]- 254.12988 166.6
[M+NH4]+ 273.17098 175.8
[M+K]+ 294.10032 167.6
[M+H-H2O]+ 238.13442 149.7
[M+HCOO]- 300.13536 173.2
[M+CH3COO]- 314.15101 223.0
[M+Na-2H]- 276.11183 166.4
[M]+ 255.13661 155.9
[M]- 255.13771 155.9
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.