CID 622879

896-05-9

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H15N3O2/c1-17(2)14-7-3-12(4-8-14)11-16-13-5-9-15(10-6-13)18(19)20/h3-11H,1-2H3
InChIKey
RLDPRVKBHPQKIK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(4-nitrophenyl)iminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.11642 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 160.6
[M+Na]+ 292.105638 166.1
[M-H]- 268.109144 169.9
[M+NH4]+ 287.150243 176.5
[M+K]+ 308.079578 160.0
[M+H-H2O]+ 252.113680 156.3
[M+HCOO]- 314.114621 189.8
[M+CH3COO]- 328.130271 202.9
[M+Na-2H]- 290.091086 168.0
[M]+ 269.11587142 160.4
[M]- 269.11696858 160.4
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

patents stripe