CID 292415

N,n-dimethyl-alpha-(3-nitrophenylimino)-p-toluidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.11642 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.6
[M+Na]+ 292.10564 166.1
[M-H]- 268.10914 169.9
[M+NH4]+ 287.15024 176.5
[M+K]+ 308.07958 160.0
[M+H-H2O]+ 252.11368 156.3
[M+HCOO]- 314.11462 189.8
[M+CH3COO]- 328.13027 202.9
[M+Na-2H]- 290.09109 168.0
[M]+ 269.11587 160.4
[M]- 269.11697 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

No literature data available for this compound.

Patent stripe

patents stripe