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]+ 333.207376 182.0
[M+Na]+ 355.189318 187.4
[M-H]- 331.192824 189.2
[M+NH4]+ 350.233923 195.3
[M+K]+ 371.163258 182.3
[M+H-H2O]+ 315.197360 172.2
[M+HCOO]- 377.198301 204.6
[M+CH3COO]- 391.213951 220.7
[M+Na-2H]- 353.174766 189.7
[M]+ 332.19955142 181.2
[M]- 332.20064858 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.