CID 362275

Nsc625886

Structural Information

Molecular Formula
C22H16N2O3S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H16N2O3S/c1-13-9-10-17-20(11-13)28-22(23-17)24-21(27)19(26)12-18(25)16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3,(H,23,24,27)
InChIKey
YWSHWGMGQURNPB-UHFFFAOYSA-N
Compound name
N-(6-methyl-1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.08817 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09545 190.9
[M+Na]+ 411.07739 199.0
[M-H]- 387.08089 198.5
[M+NH4]+ 406.12199 204.6
[M+K]+ 427.05133 193.3
[M+H-H2O]+ 371.08543 182.9
[M+HCOO]- 433.08637 207.0
[M+CH3COO]- 447.10202 201.0
[M+Na-2H]- 409.06284 192.5
[M]+ 388.08762 196.3
[M]- 388.08872 196.3
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.