CID 166637318

(hydroxy-tert-butyl)-irgarol

Structural Information

Molecular Formula
C11H19N5OS
SMILES
CC(C)(CO)NC1=NC(=NC(=N1)NC2CC2)SC
InChI
InChI=1S/C11H19N5OS/c1-11(2,6-17)16-9-13-8(12-7-4-5-7)14-10(15-9)18-3/h7,17H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
HFCMSBLJLJOGGL-UHFFFAOYSA-N
Compound name
2-[[4-(cyclopropylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13104 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13832 163.6
[M+Na]+ 292.12026 172.1
[M-H]- 268.12376 165.8
[M+NH4]+ 287.16486 171.2
[M+K]+ 308.09420 165.9
[M+H-H2O]+ 252.12830 155.4
[M+HCOO]- 314.12924 178.6
[M+CH3COO]- 328.14489 202.3
[M+Na-2H]- 290.10571 167.7
[M]+ 269.13049 167.0
[M]- 269.13159 167.0
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.