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]+ 304.12920 165.8
[M+Na]+ 326.11114 170.6
[M-H]- 302.11464 167.7
[M+NH4]+ 321.15574 179.3
[M+K]+ 342.08508 163.4
[M+H-H2O]+ 286.11918 160.8
[M+HCOO]- 348.12012 175.9
[M+CH3COO]- 362.13577 198.0
[M+Na-2H]- 324.09659 174.1
[M]+ 303.12137 159.1
[M]- 303.12247 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.