CID 363836

Nsc629103

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C14H15N3O2/c1-9(13(15)18)17(2)14(19)11-7-10-5-3-4-6-12(10)16-8-11/h3-9H,1-2H3,(H2,15,18)
InChIKey
BKPOJMXKCQIJAB-UHFFFAOYSA-N
Compound name
N-(1-amino-1-oxopropan-2-yl)-N-methylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.2
[M+Na]+ 280.10564 163.9
[M-H]- 256.10914 162.1
[M+NH4]+ 275.15024 174.2
[M+K]+ 296.07958 162.4
[M+H-H2O]+ 240.11368 150.2
[M+HCOO]- 302.11462 179.5
[M+CH3COO]- 316.13027 204.8
[M+Na-2H]- 278.09109 162.0
[M]+ 257.11587 157.9
[M]- 257.11697 157.9
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.