CID 208634

32664-45-2

Structural Information

Molecular Formula
C12H14N6
SMILES
C1CCN(C1)C2=NC(=NC(=N2)N)C3=CN=CC=C3
InChI
InChI=1S/C12H14N6/c13-11-15-10(9-4-3-5-14-8-9)16-12(17-11)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,13,15,16,17)
InChIKey
IMUIJUULNYJRNM-UHFFFAOYSA-N
Compound name
4-pyridin-3-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12799 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.135266 155.2
[M+Na]+ 265.117208 163.1
[M-H]- 241.120714 158.0
[M+NH4]+ 260.161813 166.6
[M+K]+ 281.091148 157.8
[M+H-H2O]+ 225.125250 143.5
[M+HCOO]- 287.126191 173.1
[M+CH3COO]- 301.141841 165.5
[M+Na-2H]- 263.102656 160.0
[M]+ 242.12744142 150.7
[M]- 242.12853858 150.7
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

No patent data available for this compound.