CID 510297

Schembl7483962

Structural Information

Molecular Formula
C21H18N4OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H18N4OS/c1-14-9-11-16(12-10-14)19(26)23-21-25-24-20(27-21)22-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H,22,24)(H,23,25,26)
InChIKey
ZZPBZBWAVBAVGT-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.12012 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12740 185.6
[M+Na]+ 397.10934 194.5
[M-H]- 373.11284 194.5
[M+NH4]+ 392.15394 197.7
[M+K]+ 413.08328 187.0
[M+H-H2O]+ 357.11738 176.0
[M+HCOO]- 419.11832 205.0
[M+CH3COO]- 433.13397 196.0
[M+Na-2H]- 395.09479 189.8
[M]+ 374.11957 188.9
[M]- 374.12067 188.9
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