CID 509930

Schembl7483148

Structural Information

Molecular Formula
C21H22N6O2S
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCCN4C=CN=C4
InChI
InChI=1S/C21H22N6O2S/c1-2-29-17-9-8-15-6-3-4-7-16(15)18(17)19(28)24-21-26-25-20(30-21)23-10-5-12-27-13-11-22-14-27/h3-4,6-9,11,13-14H,2,5,10,12H2,1H3,(H,23,25)(H,24,26,28)
InChIKey
NNWSJWXMJLKVFP-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[5-(3-imidazol-1-ylpropylamino)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.1525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15978 195.1
[M+Na]+ 445.14172 203.5
[M-H]- 421.14522 202.2
[M+NH4]+ 440.18632 204.6
[M+K]+ 461.11566 197.3
[M+H-H2O]+ 405.14976 185.2
[M+HCOO]- 467.15070 213.2
[M+CH3COO]- 481.16635 204.4
[M+Na-2H]- 443.12717 196.8
[M]+ 422.15195 201.8
[M]- 422.15305 201.8
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.