CID 11971103

2-amino-4-nicotinamido-6-(1-chloro-4-naphthyl)-s-triazine

Structural Information

Molecular Formula
C19H13ClN6O
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)C3=NC(=NC(=N3)NC(=O)C4=CN=CC=C4)N
InChI
InChI=1S/C19H13ClN6O/c20-15-8-7-14(12-5-1-2-6-13(12)15)16-23-18(21)26-19(24-16)25-17(27)11-4-3-9-22-10-11/h1-10H,(H3,21,23,24,25,26,27)
InChIKey
YELYEIASXPSSIY-UHFFFAOYSA-N
Compound name
N-[4-amino-6-(4-chloronaphthalen-1-yl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.08392 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09120 187.1
[M+Na]+ 399.07314 196.7
[M-H]- 375.07664 192.2
[M+NH4]+ 394.11774 194.1
[M+K]+ 415.04708 188.0
[M+H-H2O]+ 359.08118 174.9
[M+HCOO]- 421.08212 201.2
[M+CH3COO]- 435.09777 195.8
[M+Na-2H]- 397.05859 194.3
[M]+ 376.08337 187.6
[M]- 376.08447 187.6
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

patents stripe