CID 51527

1-tert-butyl-2-(2-methyl-4-quinolyl)guanidine

Structural Information

Molecular Formula
C15H20N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)N
InChI
InChI=1S/C15H20N4/c1-10-9-13(18-14(16)19-15(2,3)4)11-7-5-6-8-12(11)17-10/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKey
LQNRXRWZHSDOSV-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 161.9
[M+Na]+ 279.15802 168.7
[M-H]- 255.16152 166.1
[M+NH4]+ 274.20262 178.7
[M+K]+ 295.13196 165.3
[M+H-H2O]+ 239.16606 154.2
[M+HCOO]- 301.16700 184.7
[M+CH3COO]- 315.18265 207.0
[M+Na-2H]- 277.14347 169.0
[M]+ 256.16825 160.8
[M]- 256.16935 160.8
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.