CID 42878

Cdri 71-214

Structural Information

Molecular Formula
C26H27N3
SMILES
CC1=C(C(=C2N1C=CC=C2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H27N3/c1-21-26(22-10-4-2-5-11-22)24(25-14-8-9-15-29(21)25)20-27-16-18-28(19-17-27)23-12-6-3-7-13-23/h2-15H,16-20H2,1H3
InChIKey
RVBVVCVGSCDGBS-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2205 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22778 196.6
[M+Na]+ 404.20972 203.2
[M-H]- 380.21322 205.3
[M+NH4]+ 399.25432 205.9
[M+K]+ 420.18366 194.2
[M+H-H2O]+ 364.21776 183.2
[M+HCOO]- 426.21870 212.5
[M+CH3COO]- 440.23435 204.8
[M+Na-2H]- 402.19517 197.2
[M]+ 381.21995 193.6
[M]- 381.22105 193.6
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.