CID 42221

Cr 620

Structural Information

Molecular Formula
C26H36N4O5
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C26H36N4O5/c1-5-15-29(16-6-2)26(32)24(27-25(31)21-9-11-22(12-10-21)30(33)34)19-20-7-13-23(14-8-20)35-18-17-28(3)4/h7-14,24H,5-6,15-19H2,1-4H3,(H,27,31)
InChIKey
CZORHVLSMLIAIF-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2686 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.27588 221.8
[M+Na]+ 507.25782 219.9
[M-H]- 483.26132 228.9
[M+NH4]+ 502.30242 227.6
[M+K]+ 523.23176 215.4
[M+H-H2O]+ 467.26586 214.8
[M+HCOO]- 529.26680 244.7
[M+CH3COO]- 543.28245 247.7
[M+Na-2H]- 505.24327 220.2
[M]+ 484.26805 225.1
[M]- 484.26915 225.1
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.