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 184.3
[M+Na]+ 381.10705 192.6
[M-H]- 357.11055 188.6
[M+NH4]+ 376.15165 190.4
[M+K]+ 397.08099 185.0
[M+H-H2O]+ 341.11509 172.2
[M+HCOO]- 403.11603 201.8
[M+CH3COO]- 417.13168 192.6
[M+Na-2H]- 379.09250 191.8
[M]+ 358.11728 182.1
[M]- 358.11838 182.1
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