CID 2739373

Maybridge3_006188

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)NC(=O)C2=CC=C(C=C2)C3=CSN=N3
InChI
InChI=1S/C20H19N3O3S/c1-20(2,3)15-8-10-16(11-9-15)26-19(25)21-18(24)14-6-4-13(5-7-14)17-12-27-23-22-17/h4-12H,1-3H3,(H,21,24,25)
InChIKey
SEVDFIRBPPJURJ-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) N-[4-(thiadiazol-4-yl)benzoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.11472 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.121996 191.5
[M+Na]+ 404.103938 198.3
[M-H]- 380.107444 199.3
[M+NH4]+ 399.148543 202.4
[M+K]+ 420.077878 193.7
[M+H-H2O]+ 364.111980 182.4
[M+HCOO]- 426.112921 207.0
[M+CH3COO]- 440.128571 215.8
[M+Na-2H]- 402.089386 191.9
[M]+ 381.11417142 195.1
[M]- 381.11526858 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.