CID 3070032

85633-09-6

Structural Information

Molecular Formula
C19H17ClN6O
SMILES
C1CCN(C1)C2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN6O/c20-15-7-5-13(6-8-15)16-22-18(24-17(27)14-4-3-9-21-12-14)25-19(23-16)26-10-1-2-11-26/h3-9,12H,1-2,10-11H2,(H,22,23,24,25,27)
InChIKey
QBGMTWURPBZXEE-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12251 187.8
[M+Na]+ 403.10445 194.8
[M-H]- 379.10795 193.5
[M+NH4]+ 398.14905 193.8
[M+K]+ 419.07839 186.8
[M+H-H2O]+ 363.11249 173.9
[M+HCOO]- 425.11343 199.5
[M+CH3COO]- 439.12908 195.6
[M+Na-2H]- 401.08990 189.8
[M]+ 380.11468 186.2
[M]- 380.11578 186.2
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.