CID 3038554

Evandamine

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC1CC(=NN1C2=NC3=C(S2)CCCC3)N
InChI
InChI=1S/C11H16N4S/c1-7-6-10(12)14-15(7)11-13-8-4-2-3-5-9(8)16-11/h7H,2-6H2,1H3,(H2,12,14)
InChIKey
GINRFPGQEWNBJV-UHFFFAOYSA-N
Compound name
3-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

236.10957 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.116846 152.3
[M+Na]+ 259.098788 161.4
[M-H]- 235.102294 156.2
[M+NH4]+ 254.143393 171.3
[M+K]+ 275.072728 157.6
[M+H-H2O]+ 219.106830 145.1
[M+HCOO]- 281.107771 166.7
[M+CH3COO]- 295.123421 164.1
[M+Na-2H]- 257.084236 150.9
[M]+ 236.10902142 150.6
[M]- 236.11011858 150.6
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