CID 16035068

Azd-3199

Structural Information

Molecular Formula
C32H42N4O4S
SMILES
CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C32H42N4O4S/c1-3-35(4-2)20-21-36(19-18-33-17-14-26-12-13-28(37)30-31(26)41-32(39)34-30)29(38)16-23-40-22-15-25-10-7-9-24-8-5-6-11-27(24)25/h5-13,33,37H,3-4,14-23H2,1-2H3,(H,34,39)
InChIKey
ZVULMJYRVAVKCP-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-1-ylethoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

783
Patents

578.29266 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.29994 239.5
[M+Na]+ 601.28188 240.7
[M-H]- 577.28538 244.8
[M+NH4]+ 596.32648 244.5
[M+K]+ 617.25582 235.2
[M+H-H2O]+ 561.28992 228.9
[M+HCOO]- 623.29086 253.8
[M+CH3COO]- 637.30651 264.1
[M+Na-2H]- 599.26733 238.6
[M]+ 578.29211 248.8
[M]- 578.29321 248.8
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.