CID 456884

1-decyl-n,n-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide

Structural Information

Molecular Formula
C26H39N3O5
SMILES
CCCCCCCCCCN1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(CCO)CCO)C
InChI
InChI=1S/C26H39N3O5/c1-3-4-5-6-7-8-9-10-15-28-21(2)24(26(32)27(16-18-30)17-19-31)20-25(28)22-11-13-23(14-12-22)29(33)34/h11-14,20,30-31H,3-10,15-19H2,1-2H3
InChIKey
JEQOCUVAJHYALR-UHFFFAOYSA-N
Compound name
1-decyl-N,N-bis(2-hydroxyethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

473.28897 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.29625 221.8
[M+Na]+ 496.27819 222.5
[M-H]- 472.28169 224.7
[M+NH4]+ 491.32279 228.3
[M+K]+ 512.25213 214.0
[M+H-H2O]+ 456.28623 216.4
[M+HCOO]- 518.28717 240.7
[M+CH3COO]- 532.30282 234.5
[M+Na-2H]- 494.26364 218.5
[M]+ 473.28842 225.7
[M]- 473.28952 225.7
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.