CID 379760

Nsc664732

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=NC2=C3C(=C(C=C2C=C1)NC(=O)C)C=CC(=N3)C
InChI
InChI=1S/C16H15N3O/c1-9-4-6-12-8-14(19-11(3)20)13-7-5-10(2)18-16(13)15(12)17-9/h4-8H,1-3H3,(H,19,20)
InChIKey
QKLDYIOVROTYHX-UHFFFAOYSA-N
Compound name
N-(2,9-dimethyl-1,10-phenanthrolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.12152 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.2
[M+Na]+ 288.11074 172.3
[M-H]- 264.11424 165.0
[M+NH4]+ 283.15534 177.6
[M+K]+ 304.08468 166.9
[M+H-H2O]+ 248.11878 152.6
[M+HCOO]- 310.11972 182.1
[M+CH3COO]- 324.13537 173.5
[M+Na-2H]- 286.09619 169.5
[M]+ 265.12097 164.4
[M]- 265.12207 164.4
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.