CID 3053761

70385-00-1

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O4/c1-17-5-4-15-12(8-17)10(7-14(19)16-15)11-6-9(18(20)21)2-3-13(11)22-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,16,19)
InChIKey
LUDSVYNISFPWHZ-UHFFFAOYSA-N
Compound name
12-methyl-6-nitro-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 165.8
[M+Na]+ 326.111138 170.6
[M-H]- 302.114644 167.7
[M+NH4]+ 321.155743 179.3
[M+K]+ 342.085078 163.4
[M+H-H2O]+ 286.119180 160.8
[M+HCOO]- 348.120121 175.9
[M+CH3COO]- 362.135771 198.0
[M+Na-2H]- 324.096586 174.1
[M]+ 303.12137142 159.1
[M]- 303.12246858 159.1
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.