CID 3070040

85633-17-6

Structural Information

Molecular Formula
C19H16Cl2N6O2
SMILES
C1COCCN1C2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)C4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C19H16Cl2N6O2/c20-13-3-4-15(21)14(10-13)16-23-18(25-17(28)12-2-1-5-22-11-12)26-19(24-16)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,23,24,25,26,28)
InChIKey
HXWYXMYOFRROJM-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.07117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.07845 197.9
[M+Na]+ 453.06039 205.1
[M-H]- 429.06389 202.7
[M+NH4]+ 448.10499 199.2
[M+K]+ 469.03433 198.1
[M+H-H2O]+ 413.06843 183.3
[M+HCOO]- 475.06937 201.2
[M+CH3COO]- 489.08502 204.1
[M+Na-2H]- 451.04584 200.7
[M]+ 430.07062 197.6
[M]- 430.07172 197.6
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.