CID 28644

Brn 0435332

Structural Information

Molecular Formula
C25H26N2
SMILES
CCN(CC)CC1=C(C(=C2N1C=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2/c1-3-26(4-2)19-23-25(21-15-9-6-10-16-21)24(20-13-7-5-8-14-20)22-17-11-12-18-27(22)23/h5-18H,3-4,19H2,1-2H3
InChIKey
AUHWCUJYAQRLLO-UHFFFAOYSA-N
Compound name
N-[(1,2-diphenylindolizin-3-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2096 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21688 189.2
[M+Na]+ 377.19882 196.5
[M-H]- 353.20232 199.7
[M+NH4]+ 372.24342 203.5
[M+K]+ 393.17276 189.7
[M+H-H2O]+ 337.20686 178.4
[M+HCOO]- 399.20780 213.0
[M+CH3COO]- 413.22345 200.0
[M+Na-2H]- 375.18427 192.2
[M]+ 354.20905 192.3
[M]- 354.21015 192.3
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.