CID 336105

6-methyl-4-nitrophenanthridine

Structural Information

Molecular Formula
C14H10N2O2
SMILES
CC1=NC2=C(C=CC=C2[N+](=O)[O-])C3=CC=CC=C13
InChI
InChI=1S/C14H10N2O2/c1-9-10-5-2-3-6-11(10)12-7-4-8-13(16(17)18)14(12)15-9/h2-8H,1H3
InChIKey
OHYIGNNSWZTRMP-UHFFFAOYSA-N
Compound name
6-methyl-4-nitrophenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 148.4
[M+Na]+ 261.06345 158.3
[M-H]- 237.06695 153.4
[M+NH4]+ 256.10805 166.2
[M+K]+ 277.03739 149.7
[M+H-H2O]+ 221.07149 145.1
[M+HCOO]- 283.07243 171.9
[M+CH3COO]- 297.08808 189.0
[M+Na-2H]- 259.04890 160.2
[M]+ 238.07368 149.4
[M]- 238.07478 149.4
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.