CID 9821392

Schembl7850230

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CC(C)(C)N1C=CN=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C19H21N5O2S/c1-19(2,3)24-11-10-20-17(24)23-18(27)22-14-8-6-13(7-9-14)21-16(25)15-5-4-12-26-15/h4-12H,1-3H3,(H,21,25)(H2,20,22,23,27)
InChIKey
KGOHSGIWHJYINV-UHFFFAOYSA-N
Compound name
N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

383.1416 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 192.4
[M+Na]+ 406.13082 199.1
[M-H]- 382.13432 201.9
[M+NH4]+ 401.17542 203.6
[M+K]+ 422.10476 195.5
[M+H-H2O]+ 366.13886 184.0
[M+HCOO]- 428.13980 211.6
[M+CH3COO]- 442.15545 220.9
[M+Na-2H]- 404.11627 193.7
[M]+ 383.14105 196.0
[M]- 383.14215 196.0
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.