CID 3073377

1,3,5-triazin-2-amine, n,4-dicyclopropyl-6-(3-thiazolidinyl)-

Structural Information

Molecular Formula
C12H17N5S
SMILES
C1CC1C2=NC(=NC(=N2)N3CCSC3)NC4CC4
InChI
InChI=1S/C12H17N5S/c1-2-8(1)10-14-11(13-9-3-4-9)16-12(15-10)17-5-6-18-7-17/h8-9H,1-7H2,(H,13,14,15,16)
InChIKey
QPIFDHOKMJTDQF-UHFFFAOYSA-N
Compound name
N,4-dicyclopropyl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12773 173.7
[M+Na]+ 286.10967 181.4
[M-H]- 262.11317 180.2
[M+NH4]+ 281.15427 176.5
[M+K]+ 302.08361 176.2
[M+H-H2O]+ 246.11771 165.4
[M+HCOO]- 308.11865 187.0
[M+CH3COO]- 322.13430 181.0
[M+Na-2H]- 284.09512 171.9
[M]+ 263.11990 174.9
[M]- 263.12100 174.9
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