CID 135417390

59904-66-4

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CC(CCN1CCN(CC1)C2=CC=CC=C2)N=CC3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C24H27N3O2/c1-18(25-17-22-23(28)20-9-5-6-10-21(20)24(22)29)11-12-26-13-15-27(16-14-26)19-7-3-2-4-8-19/h2-10,17-18,28H,11-16H2,1H3
InChIKey
NJOZCPFKPGWSCP-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[4-(4-phenylpiperazin-1-yl)butan-2-yliminomethyl]inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 196.4
[M+Na]+ 412.19955 200.8
[M-H]- 388.20305 203.3
[M+NH4]+ 407.24415 206.9
[M+K]+ 428.17349 194.2
[M+H-H2O]+ 372.20759 185.3
[M+HCOO]- 434.20853 212.9
[M+CH3COO]- 448.22418 204.3
[M+Na-2H]- 410.18500 195.3
[M]+ 389.20978 194.0
[M]- 389.21088 194.0
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.