CID 5933802

Ec 406-100-4

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1CC1/C(=N\OCC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2/b19-17+
InChIKey
LZLLLIXVUHWOKV-HTXNQAPBSA-N
Compound name
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07712 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 166.6
[M+Na]+ 353.06634 173.4
[M-H]- 329.06984 177.1
[M+NH4]+ 348.11094 175.6
[M+K]+ 369.04028 164.5
[M+H-H2O]+ 313.07438 163.2
[M+HCOO]- 375.07532 188.8
[M+CH3COO]- 389.09097 207.9
[M+Na-2H]- 351.05179 172.4
[M]+ 330.07657 170.4
[M]- 330.07767 170.4
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.