CID 256654

2-(2-nitrophenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O2/c21-20(22)15-10-2-1-7-12(15)17-18-13-8-3-5-11-6-4-9-14(19-17)16(11)13/h1-10,17-19H
InChIKey
DZMBXEAGNIKWFQ-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.10077 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 162.6
[M+Na]+ 314.08999 168.0
[M-H]- 290.09349 164.6
[M+NH4]+ 309.13459 174.6
[M+K]+ 330.06393 157.0
[M+H-H2O]+ 274.09803 157.4
[M+HCOO]- 336.09897 177.7
[M+CH3COO]- 350.11462 193.9
[M+Na-2H]- 312.07544 172.4
[M]+ 291.10022 156.4
[M]- 291.10132 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.