CID 9588370

Brn 4504072

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1C2=CC=CC=C2CN1/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O2/c19-18(20)15-7-5-12(6-8-15)9-16-17-10-13-3-1-2-4-14(13)11-17/h1-9H,10-11H2/b16-9+
InChIKey
BUDQETZZMVRALW-CXUHLZMHSA-N
Compound name
(E)-N-(1,3-dihydroisoindol-2-yl)-1-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 158.4
[M+Na]+ 290.08999 172.4
[M+NH4]+ 285.13459 167.3
[M+K]+ 306.06393 168.6
[M-H]- 266.09349 164.6
[M+Na-2H]- 288.07544 166.6
[M]+ 267.10022 162.0
[M]- 267.10132 162.0
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.