CID 3054276

71079-39-5

Structural Information

Molecular Formula
C17H21N7
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NN3C=NN=C3
InChI
InChI=1S/C17H21N7/c1-12-9-15(13-7-5-6-8-14(13)20-12)21-16(22-17(2,3)4)23-24-10-18-19-11-24/h5-11H,1-4H3,(H2,20,21,22,23)
InChIKey
FXPVOPGKLUIEOA-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.18585 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19313 178.6
[M+Na]+ 346.17507 186.6
[M-H]- 322.17857 183.3
[M+NH4]+ 341.21967 190.2
[M+K]+ 362.14901 181.6
[M+H-H2O]+ 306.18311 167.8
[M+HCOO]- 368.18405 200.8
[M+CH3COO]- 382.19970 216.6
[M+Na-2H]- 344.16052 187.2
[M]+ 323.18530 180.3
[M]- 323.18640 180.3
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.