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

4
Patents

399.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14378 190.6
[M+Na]+ 422.12572 197.1
[M-H]- 398.12922 196.1
[M+NH4]+ 417.17032 201.4
[M+K]+ 438.09966 192.2
[M+H-H2O]+ 382.13376 181.3
[M+HCOO]- 444.13470 209.7
[M+CH3COO]- 458.15035 226.9
[M+Na-2H]- 420.11117 193.7
[M]+ 399.13595 196.4
[M]- 399.13705 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