CID 3047481

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

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O2/c1-20-16-11-5-7-12-6-4-9-14(17(12)16)19-18(20)13-8-2-3-10-15(13)21(22)23/h2-11H,1H3
InChIKey
UCYBGEYJRNIFNS-UHFFFAOYSA-N
Compound name
1-methyl-2-(2-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]+ 304.108046 169.0
[M+Na]+ 326.089988 176.7
[M-H]- 302.093494 174.3
[M+NH4]+ 321.134593 182.2
[M+K]+ 342.063928 166.9
[M+H-H2O]+ 286.098030 162.9
[M+HCOO]- 348.098971 188.0
[M+CH3COO]- 362.114621 202.7
[M+Na-2H]- 324.075436 179.0
[M]+ 303.10022142 168.3
[M]- 303.10131858 168.3
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.