CID 389243

Nsc684996

Structural Information

Molecular Formula
C24H25N3O2S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C24H25N3O2S/c1-5-27(6-2)19-12-9-17-13-20(24(28)29-22(17)14-19)21-15-30-23(25-21)16-7-10-18(11-8-16)26(3)4/h7-15H,5-6H2,1-4H3
InChIKey
TTZROTFCBLJUBO-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

419.16675 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17403 204.0
[M+Na]+ 442.15597 213.4
[M-H]- 418.15947 217.7
[M+NH4]+ 437.20057 215.9
[M+K]+ 458.12991 209.6
[M+H-H2O]+ 402.16401 194.1
[M+HCOO]- 464.16495 224.5
[M+CH3COO]- 478.18060 215.1
[M+Na-2H]- 440.14142 204.7
[M]+ 419.16620 213.3
[M]- 419.16730 213.3
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

patents stripe