CID 51528

Brn 5596403

Structural Information

Molecular Formula
C17H24N4O
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NCCO)NC(C)(C)C
InChI
InChI=1S/C17H24N4O/c1-12-11-15(13-7-5-6-8-14(13)19-12)20-16(18-9-10-22)21-17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,20,21)
InChIKey
UNQUVONLVUVHLK-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-(2-hydroxyethyl)-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 173.7
[M+Na]+ 323.18422 183.6
[M+NH4]+ 318.22882 180.3
[M+K]+ 339.15816 177.4
[M-H]- 299.18772 176.4
[M+Na-2H]- 321.16967 179.0
[M]+ 300.19445 175.6
[M]- 300.19555 175.6
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

No patent data available for this compound.