CID 54681648

Nsc663786

Structural Information

Molecular Formula
C27H25N3O5
SMILES
C1COCCN1C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C27H25N3O5/c31-26-23(24(28-15-17-35-18-16-28)20-11-13-22(14-12-20)30(33)34)27(32)29(21-9-5-2-6-10-21)25(26)19-7-3-1-4-8-19/h1-14,24-25,31H,15-18H2
InChIKey
WUCFWPWMJKDQQM-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[morpholin-4-yl-(4-nitrophenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.1794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18668 211.8
[M+Na]+ 494.16862 212.6
[M-H]- 470.17212 223.2
[M+NH4]+ 489.21322 213.6
[M+K]+ 510.14256 203.8
[M+H-H2O]+ 454.17666 203.2
[M+HCOO]- 516.17760 225.4
[M+CH3COO]- 530.19325 227.3
[M+Na-2H]- 492.15407 211.1
[M]+ 471.17885 205.2
[M]- 471.17995 205.2
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.