CID 379763

Nsc664735

Structural Information

Molecular Formula
C16H16N4O
SMILES
CC1=NC2=C3C(=C(C=C2C=C1)NC(=O)CN)C=CC(=N3)C
InChI
InChI=1S/C16H16N4O/c1-9-3-5-11-7-13(20-14(21)8-17)12-6-4-10(2)19-16(12)15(11)18-9/h3-7H,8,17H2,1-2H3,(H,20,21)
InChIKey
ODLPGRHKSUXHED-UHFFFAOYSA-N
Compound name
2-amino-N-(2,9-dimethyl-1,10-phenanthrolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 165.3
[M+Na]+ 303.12164 175.5
[M-H]- 279.12514 168.5
[M+NH4]+ 298.16624 180.4
[M+K]+ 319.09558 169.9
[M+H-H2O]+ 263.12968 156.5
[M+HCOO]- 325.13062 186.6
[M+CH3COO]- 339.14627 176.7
[M+Na-2H]- 301.10709 173.1
[M]+ 280.13187 166.9
[M]- 280.13297 166.9
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.