CID 2799231

Ns00016628

Structural Information

Molecular Formula
C22H26N4O4
SMILES
C1CCN(CC1)CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H26N4O4/c27-21(17-9-11-18(12-10-17)26(29)30)24-20-8-3-2-7-19(20)22(28)23-13-6-16-25-14-4-1-5-15-25/h2-3,7-12H,1,4-6,13-16H2,(H,23,28)(H,24,27)
InChIKey
NMYPVSNHRMVHNI-UHFFFAOYSA-N
Compound name
2-[(4-nitrobenzoyl)amino]-N-(3-piperidin-1-ylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

410.1954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.202676 195.2
[M+Na]+ 433.184618 194.0
[M-H]- 409.188124 201.4
[M+NH4]+ 428.229223 201.1
[M+K]+ 449.158558 185.9
[M+H-H2O]+ 393.192660 188.1
[M+HCOO]- 455.193601 214.1
[M+CH3COO]- 469.209251 221.9
[M+Na-2H]- 431.170066 198.0
[M]+ 410.19485142 188.5
[M]- 410.19594858 188.5
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.