CID 1032682

Vufb-10640

Structural Information

Molecular Formula
C24H38N4
SMILES
CN1CCN(CC1)CC2=C3CCCC3=C(C4=C2CCC4)CN5CCN(CC5)C
InChI
InChI=1S/C24H38N4/c1-25-9-13-27(14-10-25)17-23-19-5-3-7-21(19)24(22-8-4-6-20(22)23)18-28-15-11-26(2)12-16-28/h3-18H2,1-2H3
InChIKey
AHDMXNQQAYOPPT-UHFFFAOYSA-N
Compound name
1-methyl-4-[[8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.30966 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.31694 202.2
[M+Na]+ 405.29888 204.4
[M-H]- 381.30238 205.9
[M+NH4]+ 400.34348 213.3
[M+K]+ 421.27282 197.3
[M+H-H2O]+ 365.30692 189.8
[M+HCOO]- 427.30786 208.4
[M+CH3COO]- 441.32351 207.5
[M+Na-2H]- 403.28433 193.8
[M]+ 382.30911 193.4
[M]- 382.31021 193.4
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

No patent data available for this compound.