CID 509346

Schembl7482834

Structural Information

Molecular Formula
C23H23N5O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCNC4=CC=CC=C4
InChI
InChI=1S/C23H23N5O2S/c1-2-30-19-13-12-16-8-6-7-11-18(16)20(19)21(29)26-23-28-27-22(31-23)25-15-14-24-17-9-4-3-5-10-17/h3-13,24H,2,14-15H2,1H3,(H,25,27)(H,26,28,29)
InChIKey
KBAPIGUJSNRSMP-UHFFFAOYSA-N
Compound name
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

433.15726 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16454 197.3
[M+Na]+ 456.14648 203.8
[M-H]- 432.14998 205.6
[M+NH4]+ 451.19108 206.4
[M+K]+ 472.12042 196.8
[M+H-H2O]+ 416.15452 186.8
[M+HCOO]- 478.15546 217.1
[M+CH3COO]- 492.17111 206.0
[M+Na-2H]- 454.13193 202.1
[M]+ 433.15671 201.9
[M]- 433.15781 201.9
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