CID 3054278

71079-41-9

Structural Information

Molecular Formula
C20H23N5
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=CC=CC=N3
InChI
InChI=1S/C20H23N5/c1-14-13-17(15-9-5-6-10-16(15)22-14)23-19(25-20(2,3)4)24-18-11-7-8-12-21-18/h5-13H,1-4H3,(H2,21,22,23,24,25)
InChIKey
WOSLVVFBKOEMOA-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-pyridin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.19534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20262 182.4
[M+Na]+ 356.18456 188.2
[M-H]- 332.18806 188.4
[M+NH4]+ 351.22916 194.3
[M+K]+ 372.15850 183.0
[M+H-H2O]+ 316.19260 172.0
[M+HCOO]- 378.19354 204.0
[M+CH3COO]- 392.20919 220.4
[M+Na-2H]- 354.17001 190.9
[M]+ 333.19479 181.8
[M]- 333.19589 181.8
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.