CID 11970863

84712-78-7

Structural Information

Molecular Formula
C11H19N5S
SMILES
CCNC1=NC(=NC(=N1)SC)NC2CCCC2
InChI
InChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
QWEXZURQZXDZBL-UHFFFAOYSA-N
Compound name
2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.13612 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.143396 155.8
[M+Na]+ 276.125338 162.5
[M-H]- 252.128844 158.5
[M+NH4]+ 271.169943 170.9
[M+K]+ 292.099278 158.4
[M+H-H2O]+ 236.133380 146.8
[M+HCOO]- 298.134321 172.2
[M+CH3COO]- 312.149971 197.5
[M+Na-2H]- 274.110786 157.6
[M]+ 253.13557142 155.1
[M]- 253.13666858 155.1
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