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

170
References

8701
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

literature stripe

Patent stripe

patents stripe