CID 510291

Schembl7482339

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCNC(=O)C
InChI
InChI=1S/C19H21N5O3S/c1-3-27-15-9-8-13-6-4-5-7-14(13)16(15)17(26)22-19-24-23-18(28-19)21-11-10-20-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,20,25)(H,21,23)(H,22,24,26)
InChIKey
WWIXLTWABDAKSB-UHFFFAOYSA-N
Compound name
N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

399.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.143776 190.6
[M+Na]+ 422.125718 197.1
[M-H]- 398.129224 196.1
[M+NH4]+ 417.170323 201.4
[M+K]+ 438.099658 192.2
[M+H-H2O]+ 382.133760 181.3
[M+HCOO]- 444.134701 209.7
[M+CH3COO]- 458.150351 226.9
[M+Na-2H]- 420.111166 193.7
[M]+ 399.13595142 196.4
[M]- 399.13704858 196.4
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