CID 384972

Nsc675802

Structural Information

Molecular Formula
C27H24N2O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O
InChI
InChI=1S/C27H24N2O3S/c30-24(21-10-20-19-4-2-1-3-18(19)5-6-22(20)32-25(21)31)29-26-28-23(14-33-26)27-11-15-7-16(12-27)9-17(8-15)13-27/h1-6,10,14-17H,7-9,11-13H2,(H,28,29,30)
InChIKey
GZPNMFVPEZNCRB-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.15076 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.15804 184.9
[M+Na]+ 479.13998 187.8
[M-H]- 455.14348 186.9
[M+NH4]+ 474.18458 200.5
[M+K]+ 495.11392 184.1
[M+H-H2O]+ 439.14802 174.2
[M+HCOO]- 501.14896 185.8
[M+CH3COO]- 515.16461 190.9
[M+Na-2H]- 477.12543 194.3
[M]+ 456.15021 190.3
[M]- 456.15131 190.3
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.