CID 51529

1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenylguanidine

Structural Information

Molecular Formula
C21H24N4
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=CC=CC=C3
InChI
InChI=1S/C21H24N4/c1-15-14-19(17-12-8-9-13-18(17)22-15)24-20(25-21(2,3)4)23-16-10-6-5-7-11-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKey
DCBOXOCZKNAJAO-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.2001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 182.0
[M+Na]+ 355.18932 187.4
[M-H]- 331.19282 189.2
[M+NH4]+ 350.23392 195.3
[M+K]+ 371.16326 182.3
[M+H-H2O]+ 315.19736 172.2
[M+HCOO]- 377.19830 204.6
[M+CH3COO]- 391.21395 220.7
[M+Na-2H]- 353.17477 189.7
[M]+ 332.19955 181.2
[M]- 332.20065 181.2
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.