CID 386982

Nsc680293

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC1=NC2=NC=C3C(=C2C=C1)N(CCOC3=O)C
InChI
InChI=1S/C13H13N3O2/c1-8-3-4-9-11-10(7-14-12(9)15-8)13(17)18-6-5-16(11)2/h3-4,7H,5-6H2,1-2H3
InChIKey
HXXVCEXLGOYHKR-UHFFFAOYSA-N
Compound name
1,9-dimethyl-2,3-dihydro-[1,4]oxazepino[6,5-c][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 152.3
[M+Na]+ 266.08999 162.0
[M-H]- 242.09349 156.1
[M+NH4]+ 261.13459 166.3
[M+K]+ 282.06393 162.9
[M+H-H2O]+ 226.09803 143.7
[M+HCOO]- 288.09897 167.8
[M+CH3COO]- 302.11462 164.0
[M+Na-2H]- 264.07544 159.8
[M]+ 243.10022 151.1
[M]- 243.10132 151.1
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

No patent data available for this compound.