CID 14251376

S-demethylterbutryn

Structural Information

Molecular Formula
C9H17N5S
SMILES
CCNC1=NC(=S)N=C(N1)NC(C)(C)C
InChI
InChI=1S/C9H17N5S/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
InChIKey
XDRGNXNWMORVQP-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.12047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12775 153.0
[M+Na]+ 250.10969 161.2
[M-H]- 226.11319 151.8
[M+NH4]+ 245.15429 167.0
[M+K]+ 266.08363 156.1
[M+H-H2O]+ 210.11773 145.5
[M+HCOO]- 272.11867 167.4
[M+CH3COO]- 286.13432 191.8
[M+Na-2H]- 248.09514 157.4
[M]+ 227.11992 152.4
[M]- 227.12102 152.4
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

patents stripe