CID 71959

Butoprozine

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)CC
InChI
InChI=1S/C28H38N2O2/c1-4-7-17-29(18-8-5-2)19-11-21-32-26-15-13-24(14-16-26)28(31)27-23(6-3)22-25-12-9-10-20-30(25)27/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3
InChIKey
NRTGWAAGLRTUJZ-UHFFFAOYSA-N
Compound name
[4-[3-(dibutylamino)propoxy]phenyl]-(2-ethylindolizin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1073
Patents

434.29333 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.300606 214.9
[M+Na]+ 457.282548 219.0
[M-H]- 433.286054 221.2
[M+NH4]+ 452.327153 226.1
[M+K]+ 473.256488 213.5
[M+H-H2O]+ 417.290590 204.1
[M+HCOO]- 479.291531 236.0
[M+CH3COO]- 493.307181 238.9
[M+Na-2H]- 455.267996 213.0
[M]+ 434.29278142 223.2
[M]- 434.29387858 223.2
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