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

literature stripe

Patent stripe

patents stripe