CID 15411150

Ngb2849

Structural Information

Molecular Formula
C29H29Cl2N3O
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2)C5=C(C(=CC=C5)Cl)Cl
InChI
InChI=1S/C29H29Cl2N3O/c30-26-8-5-9-27(28(26)31)34-16-14-33(15-17-34)13-4-3-12-32-29(35)24-11-10-23-18-21-6-1-2-7-22(21)19-25(23)20-24/h1-2,5-11,18-20H,3-4,12-17H2,(H,32,35)
InChIKey
ZITQUAHPZJHCJH-UHFFFAOYSA-N
Compound name
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

505.16876 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.17604 221.7
[M+Na]+ 528.15798 227.8
[M-H]- 504.16148 227.4
[M+NH4]+ 523.20258 227.8
[M+K]+ 544.13192 217.6
[M+H-H2O]+ 488.16602 208.7
[M+HCOO]- 550.16696 226.2
[M+CH3COO]- 564.18261 227.0
[M+Na-2H]- 526.14343 222.5
[M]+ 505.16821 223.6
[M]- 505.16931 223.6
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