CID 3003957

Nsc354683

Structural Information

Molecular Formula
C21H24N4O2S
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H24N4O2S/c1-25-16-5-3-2-4-15(16)17(18(25)26)23-24-20(28)22-19(27)21-9-12-6-13(10-21)8-14(7-12)11-21/h2-5,12-14,26H,6-11H2,1H3,(H,22,27,28)
InChIKey
HBQKNNLSFIFKAY-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1-methylindol-3-yl)iminocarbamothioyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16928 178.8
[M+Na]+ 419.15122 180.6
[M-H]- 395.15472 177.1
[M+NH4]+ 414.19582 198.4
[M+K]+ 435.12516 177.4
[M+H-H2O]+ 379.15926 171.6
[M+HCOO]- 441.16020 183.6
[M+CH3COO]- 455.17585 185.3
[M+Na-2H]- 417.13667 188.6
[M]+ 396.16145 183.8
[M]- 396.16255 183.8
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.