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 173.8
[M+Na]+ 323.18422 179.1
[M-H]- 299.18772 176.8
[M+NH4]+ 318.22882 188.3
[M+K]+ 339.15816 175.5
[M+H-H2O]+ 283.19226 165.8
[M+HCOO]- 345.19320 195.2
[M+CH3COO]- 359.20885 212.7
[M+Na-2H]- 321.16967 180.6
[M]+ 300.19445 173.8
[M]- 300.19555 173.8
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.