CID 6481811

N-[3-(imidazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)methanimine

Structural Information

Molecular Formula
C17H14N4O2
SMILES
C1=CC=C(C(=C1)C=NC2=CC=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14N4O2/c22-21(23)17-7-2-1-5-15(17)11-19-16-6-3-4-14(10-16)12-20-9-8-18-13-20/h1-11,13H,12H2
InChIKey
YHABFUIFYMNPGZ-UHFFFAOYSA-N
Compound name
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 169.7
[M+Na]+ 329.10088 175.7
[M-H]- 305.10438 178.3
[M+NH4]+ 324.14548 182.3
[M+K]+ 345.07482 166.9
[M+H-H2O]+ 289.10892 163.3
[M+HCOO]- 351.10986 196.0
[M+CH3COO]- 365.12551 201.9
[M+Na-2H]- 327.08633 177.1
[M]+ 306.11111 168.5
[M]- 306.11221 168.5
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.