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 209.7
[M+Na]+ 469.22100 209.9
[M-H]- 445.22450 219.0
[M+NH4]+ 464.26560 216.3
[M+K]+ 485.19494 201.6
[M+H-H2O]+ 429.22904 202.1
[M+HCOO]- 491.22998 234.5
[M+CH3COO]- 505.24563 237.8
[M+Na-2H]- 467.20645 212.6
[M]+ 446.23123 208.9
[M]- 446.23233 208.9
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.