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]+ 239.081506 148.4
[M+Na]+ 261.063448 158.3
[M-H]- 237.066954 153.4
[M+NH4]+ 256.108053 166.2
[M+K]+ 277.037388 149.7
[M+H-H2O]+ 221.071490 145.1
[M+HCOO]- 283.072431 171.9
[M+CH3COO]- 297.088081 189.0
[M+Na-2H]- 259.048896 160.2
[M]+ 238.07368142 149.4
[M]- 238.07477858 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.