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]+ 243.13527 154.4
[M+Na]+ 265.11721 167.8
[M+NH4]+ 260.16181 161.2
[M+K]+ 281.09115 163.4
[M-H]- 241.12071 157.9
[M+Na-2H]- 263.10266 163.6
[M]+ 242.12744 157.0
[M]- 242.12854 157.0
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.