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
1
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]+ 393.25365 201.2
[M+Na]+ 415.23559 206.8
[M-H]- 391.23909 207.4
[M+NH4]+ 410.28019 213.9
[M+K]+ 431.20953 201.9
[M+H-H2O]+ 375.24363 192.3
[M+HCOO]- 437.24457 220.4
[M+CH3COO]- 451.26022 227.6
[M+Na-2H]- 413.22104 201.7
[M]+ 392.24582 206.3
[M]- 392.24692 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.