CID 91590

Cybutryne

Structural Information

Molecular Formula
C11H19N5S
SMILES
CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC
InChI
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
HDHLIWCXDDZUFH-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

171
References

9413
Patents

253.13612 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14340 162.0
[M+Na]+ 276.12534 171.2
[M-H]- 252.12884 165.6
[M+NH4]+ 271.16994 171.1
[M+K]+ 292.09928 165.5
[M+H-H2O]+ 236.13338 153.5
[M+HCOO]- 298.13432 178.2
[M+CH3COO]- 312.14997 202.0
[M+Na-2H]- 274.11079 166.2
[M]+ 253.13557 165.7
[M]- 253.13667 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.