CID 42872

58892-68-5

Structural Information

Molecular Formula
C36H39N5
SMILES
C1CN(CCN1CC2=C3C=CC=CN3C(=C2C4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H39N5/c1-4-12-30(13-5-1)36-33(28-37-20-24-39(25-21-37)31-14-6-2-7-15-31)34-18-10-11-19-41(34)35(36)29-38-22-26-40(27-23-38)32-16-8-3-9-17-32/h1-19H,20-29H2
InChIKey
FTBAFQHFYPBQJB-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-bis[(4-phenylpiperazin-1-yl)methyl]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.32056 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.32784 236.4
[M+Na]+ 564.30978 237.9
[M-H]- 540.31328 245.7
[M+NH4]+ 559.35438 234.4
[M+K]+ 580.28372 226.0
[M+H-H2O]+ 524.31782 217.3
[M+HCOO]- 586.31876 243.1
[M+CH3COO]- 600.33441 238.4
[M+Na-2H]- 562.29523 231.7
[M]+ 541.32001 227.4
[M]- 541.32111 227.4
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.