CID 20105

Dipropetryn

Structural Information

Molecular Formula
C11H21N5S
SMILES
CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
InChI
InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKey
NPWMZOGDXOFZIN-UHFFFAOYSA-N
Compound name
6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

8216
Patents

255.15176 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15904 159.6
[M+Na]+ 278.14098 166.1
[M-H]- 254.14448 159.4
[M+NH4]+ 273.18558 173.0
[M+K]+ 294.11492 162.7
[M+H-H2O]+ 238.14902 151.0
[M+HCOO]- 300.14996 174.3
[M+CH3COO]- 314.16561 203.0
[M+Na-2H]- 276.12643 161.0
[M]+ 255.15121 161.9
[M]- 255.15231 161.9
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