CID 3050981

Brn 0427395

Structural Information

Molecular Formula
C17H21N5
SMILES
CCC(C)(C)N=C(NC#N)NC1=CC(=NC2=CC=CC=C21)C
InChI
InChI=1S/C17H21N5/c1-5-17(3,4)22-16(19-11-18)21-15-10-12(2)20-14-9-7-6-8-13(14)15/h6-10H,5H2,1-4H3,(H2,19,20,21,22)
InChIKey
HRDNXJXHMMYKHR-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-methylbutan-2-yl)-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1797 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 178.5
[M+Na]+ 318.16892 185.9
[M-H]- 294.17242 181.2
[M+NH4]+ 313.21352 191.6
[M+K]+ 334.14286 181.2
[M+H-H2O]+ 278.17696 163.6
[M+HCOO]- 340.17790 196.9
[M+CH3COO]- 354.19355 223.6
[M+Na-2H]- 316.15437 183.8
[M]+ 295.17915 173.1
[M]- 295.18025 173.1
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.