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]+ 257.176076 161.9
[M+Na]+ 279.158018 168.7
[M-H]- 255.161524 166.1
[M+NH4]+ 274.202623 178.7
[M+K]+ 295.131958 165.3
[M+H-H2O]+ 239.166060 154.2
[M+HCOO]- 301.167001 184.7
[M+CH3COO]- 315.182651 207.0
[M+Na-2H]- 277.143466 169.0
[M]+ 256.16825142 160.8
[M]- 256.16934858 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.