CID 65674

Sr 33287

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CC(C)C1=C(N2C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OCCCNC(C)(C)C
InChI
InChI=1S/C25H32N2O2/c1-18(2)22-17-20-9-6-7-15-27(20)23(22)24(28)19-10-12-21(13-11-19)29-16-8-14-26-25(3,4)5/h6-7,9-13,15,17-18,26H,8,14,16H2,1-5H3
InChIKey
ZVRBFQSPBKYIAR-UHFFFAOYSA-N
Compound name
[4-[3-(tert-butylamino)propoxy]phenyl]-(2-propan-2-ylindolizin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

68
Patents

392.24637 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.253646 201.2
[M+Na]+ 415.235588 206.8
[M-H]- 391.239094 207.4
[M+NH4]+ 410.280193 213.9
[M+K]+ 431.209528 201.9
[M+H-H2O]+ 375.243630 192.3
[M+HCOO]- 437.244571 220.4
[M+CH3COO]- 451.260221 227.6
[M+Na-2H]- 413.221036 201.7
[M]+ 392.24582142 206.3
[M]- 392.24691858 206.3
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