CID 389733

Gdi65l9xt6

Structural Information

Molecular Formula
C25H26N2O
SMILES
CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C
InChI
InChI=1S/C25H26N2O/c1-19-23-11-7-8-16-27(23)25(24(19)20-9-5-4-6-10-20)21-12-14-22(15-13-21)28-18-17-26(2)3/h4-16H,17-18H2,1-3H3
InChIKey
AGCVPOVKAQCEKZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[4-(1-methyl-2-phenylindolizin-3-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

370.2045 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 193.0
[M+Na]+ 393.19372 201.0
[M-H]- 369.19722 203.9
[M+NH4]+ 388.23832 206.8
[M+K]+ 409.16766 195.0
[M+H-H2O]+ 353.20176 182.2
[M+HCOO]- 415.20270 217.0
[M+CH3COO]- 429.21835 203.9
[M+Na-2H]- 391.17917 195.3
[M]+ 370.20395 197.9
[M]- 370.20505 197.9
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.