CID 135667648

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

Structural Information

Molecular Formula
C19H14N6O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C3=NC(=NC(=N3)NC(=O)C4=CN=CC=C4)N
InChI
InChI=1S/C19H14N6O2/c20-18-22-16(14-8-7-11-4-1-2-6-13(11)15(14)26)23-19(25-18)24-17(27)12-5-3-9-21-10-12/h1-10,26H,(H3,20,22,23,24,25,27)
InChIKey
JVZDRTYUTCBUAZ-UHFFFAOYSA-N
Compound name
N-[4-amino-6-(1-hydroxynaphthalen-2-yl)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

358.11783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12511 184.0
[M+Na]+ 381.10705 199.7
[M+NH4]+ 376.15165 189.7
[M+K]+ 397.08099 192.8
[M-H]- 357.11055 189.3
[M+Na-2H]- 379.09250 193.9
[M]+ 358.11728 187.6
[M]- 358.11838 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