CID 389732

Nsc686323

Structural Information

Molecular Formula
C26H26N2O2
SMILES
CC(=O)C1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C
InChI
InChI=1S/C26H26N2O2/c1-19(29)24-23-11-7-8-16-28(23)26(25(24)20-9-5-4-6-10-20)21-12-14-22(15-13-21)30-18-17-27(2)3/h4-16H,17-18H2,1-3H3
InChIKey
OXHINCBUDCYLRH-UHFFFAOYSA-N
Compound name
1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylindolizin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.19943 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 199.9
[M+Na]+ 421.18865 207.0
[M-H]- 397.19215 210.8
[M+NH4]+ 416.23325 212.2
[M+K]+ 437.16259 201.6
[M+H-H2O]+ 381.19669 189.0
[M+HCOO]- 443.19763 222.8
[M+CH3COO]- 457.21328 210.1
[M+Na-2H]- 419.17410 200.6
[M]+ 398.19888 205.1
[M]- 398.19998 205.1
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.