CID 3082657

Fr 76830

Structural Information

Molecular Formula
C25H26N4O4
SMILES
CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCCN4CCOCC4
InChI
InChI=1S/C25H26N4O4/c1-18-24(25(30)26-10-11-28-12-14-33-15-13-28)22(20-8-5-9-21(16-20)29(31)32)17-23(27-18)19-6-3-2-4-7-19/h2-9,16-17H,10-15H2,1H3,(H,26,30)
InChIKey
HNBRMVZTOLAZRW-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

446.1954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 208.8
[M+Na]+ 469.18462 209.8
[M-H]- 445.18812 217.9
[M+NH4]+ 464.22922 210.8
[M+K]+ 485.15856 201.2
[M+H-H2O]+ 429.19266 199.4
[M+HCOO]- 491.19360 224.9
[M+CH3COO]- 505.20925 228.2
[M+Na-2H]- 467.17007 212.0
[M]+ 446.19485 204.0
[M]- 446.19595 204.0
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

patents stripe