CID 39869478

3-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C13H15N5S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(NN=C3N)CCCN
InChI
InChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)
InChIKey
YHCLQAVKRVLZRL-UHFFFAOYSA-N
Compound name
5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

273.10483 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11211 157.6
[M+Na]+ 296.09405 168.6
[M-H]- 272.09755 161.0
[M+NH4]+ 291.13865 174.2
[M+K]+ 312.06799 162.0
[M+H-H2O]+ 256.10209 150.3
[M+HCOO]- 318.10303 176.0
[M+CH3COO]- 332.11868 169.4
[M+Na-2H]- 294.07950 159.0
[M]+ 273.10428 158.9
[M]- 273.10538 158.9
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