CID 5276862

N'-(2-nitro-4-phenyl-phenyl)propane-1,3-diamine

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O2/c16-9-4-10-17-14-8-7-13(11-15(14)18(19)20)12-5-2-1-3-6-12/h1-3,5-8,11,17H,4,9-10,16H2
InChIKey
RLPFDJOMYJUZRW-UHFFFAOYSA-N
Compound name
N'-(2-nitro-4-phenylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.13208 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 160.2
[M+Na]+ 294.12130 164.8
[M-H]- 270.12480 166.1
[M+NH4]+ 289.16590 174.5
[M+K]+ 310.09524 156.6
[M+H-H2O]+ 254.12934 156.3
[M+HCOO]- 316.13028 186.6
[M+CH3COO]- 330.14593 197.8
[M+Na-2H]- 292.10675 167.1
[M]+ 271.13153 156.9
[M]- 271.13263 156.9
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.