CID 53528

76751-74-1

Structural Information

Molecular Formula
C26H30N4O3
SMILES
CCN(CC)CCNC1=CC=CC=C1C2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C26H30N4O3/c1-3-29(4-2)18-17-27-24-11-7-5-9-22(24)23-10-6-8-12-25(23)28-26(31)19-20-13-15-21(16-14-20)30(32)33/h5-16,27H,3-4,17-19H2,1-2H3,(H,28,31)
InChIKey
DJJUPDBEIJRGDO-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(diethylamino)ethylamino]phenyl]phenyl]-2-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.23178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23906 211.7
[M+Na]+ 469.22100 223.9
[M+NH4]+ 464.26560 217.8
[M+K]+ 485.19494 217.9
[M-H]- 445.22450 220.7
[M+Na-2H]- 467.20645 220.6
[M]+ 446.23123 215.8
[M]- 446.23233 215.8
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

No patent data available for this compound.