CID 3040195

Perimidine, 1-methyl-2-(p-nitrophenyl)-

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O2/c1-20-16-7-3-5-12-4-2-6-15(17(12)16)19-18(20)13-8-10-14(11-9-13)21(22)23/h2-11H,1H3
InChIKey
SHUGAYWUBXKNSM-UHFFFAOYSA-N
Compound name
1-methyl-2-(4-nitrophenyl)perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 167.0
[M+Na]+ 326.08999 185.5
[M+NH4]+ 321.13459 176.5
[M+K]+ 342.06393 178.6
[M-H]- 302.09349 173.7
[M+Na-2H]- 324.07544 176.0
[M]+ 303.10022 171.7
[M]- 303.10132 171.7
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.