CID 11971101

2-amino-4-nicotinoylamino-6-beta-naphthyl-s-triazine

Structural Information

Molecular Formula
C19H14N6O
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=N3)NC(=O)C4=CN=CC=C4)N
InChI
InChI=1S/C19H14N6O/c20-18-22-16(14-8-7-12-4-1-2-5-13(12)10-14)23-19(25-18)24-17(26)15-6-3-9-21-11-15/h1-11H,(H3,20,22,23,24,25,26)
InChIKey
QQQVBTJOPXMLOP-UHFFFAOYSA-N
Compound name
N-(4-amino-6-naphthalen-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

342.1229 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13018 180.0
[M+Na]+ 365.11212 196.3
[M+NH4]+ 360.15672 186.6
[M+K]+ 381.08606 188.3
[M-H]- 341.11562 186.1
[M+Na-2H]- 363.09757 191.2
[M]+ 342.12235 184.0
[M]- 342.12345 184.0
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

patents stripe