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 155.2
[M+Na]+ 265.11721 163.1
[M-H]- 241.12071 158.0
[M+NH4]+ 260.16181 166.6
[M+K]+ 281.09115 157.8
[M+H-H2O]+ 225.12525 143.5
[M+HCOO]- 287.12619 173.1
[M+CH3COO]- 301.14184 165.5
[M+Na-2H]- 263.10266 160.0
[M]+ 242.12744 150.7
[M]- 242.12854 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.