CID 3054279

71079-42-0

Structural Information

Molecular Formula
C19H22N6
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC=CN=C3
InChI
InChI=1S/C19H22N6/c1-13-11-16(14-7-5-6-8-15(14)22-13)23-18(25-19(2,3)4)24-17-12-20-9-10-21-17/h5-12H,1-4H3,(H2,21,22,23,24,25)
InChIKey
HJXUZKFUXNBUSZ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-pyrazin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.19058 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19786 182.9
[M+Na]+ 357.17980 189.2
[M-H]- 333.18330 187.7
[M+NH4]+ 352.22440 193.4
[M+K]+ 373.15374 183.8
[M+H-H2O]+ 317.18784 171.9
[M+HCOO]- 379.18878 203.5
[M+CH3COO]- 393.20443 220.2
[M+Na-2H]- 355.16525 192.2
[M]+ 334.19003 182.4
[M]- 334.19113 182.4
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.