CID 13305

Lambast

Structural Information

Molecular Formula
C12H23N5O2S
SMILES
COCCCNC1=NC(=NC(=N1)SC)NCCCOC
InChI
InChI=1S/C12H23N5O2S/c1-18-8-4-6-13-10-15-11(14-7-5-9-19-2)17-12(16-10)20-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
FBMDQVBGIYSDTI-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

256
Patents

301.15726 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16454 169.9
[M+Na]+ 324.14648 179.1
[M+NH4]+ 319.19108 175.1
[M+K]+ 340.12042 171.4
[M-H]- 300.14998 170.3
[M+Na-2H]- 322.13193 173.6
[M]+ 301.15671 171.4
[M]- 301.15781 171.4
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

patents stripe