CID 38662

Dibenzo(c,g)(1,2)diazocine, 11,12-dihydro-, 5-oxide

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1CC2=CC=CC=C2[N+](=NC3=CC=CC=C31)[O-]
InChI
InChI=1S/C14H12N2O/c17-16-14-8-4-2-6-12(14)10-9-11-5-1-3-7-13(11)15-16/h1-8H,9-10H2
InChIKey
UHAQUIPSBRUWRO-UHFFFAOYSA-N
Compound name
5-oxido-11,12-dihydrobenzo[c][1,2]benzodiazocin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 152.0
[M+Na]+ 247.08418 157.5
[M-H]- 223.08768 153.0
[M+NH4]+ 242.12878 159.5
[M+K]+ 263.05812 154.2
[M+H-H2O]+ 207.09222 149.3
[M+HCOO]- 269.09316 160.3
[M+CH3COO]- 283.10881 221.5
[M+Na-2H]- 245.06963 155.2
[M]+ 224.09441 150.6
[M]- 224.09551 150.6
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

patents stripe