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]+ 244.108046 152.3
[M+Na]+ 266.089988 162.0
[M-H]- 242.093494 156.1
[M+NH4]+ 261.134593 166.3
[M+K]+ 282.063928 162.9
[M+H-H2O]+ 226.098030 143.7
[M+HCOO]- 288.098971 167.8
[M+CH3COO]- 302.114621 164.0
[M+Na-2H]- 264.075436 159.8
[M]+ 243.10022142 151.1
[M]- 243.10131858 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.