CID 3021359

1-(3-dimethylaminobutyl)-3-(3-piperidinopropylamino)indazole

Structural Information

Molecular Formula
C21H35N5
SMILES
CC(CCN1C2=CC=CC=C2C(=N1)NCCCN3CCCCC3)N(C)C
InChI
InChI=1S/C21H35N5/c1-18(24(2)3)12-17-26-20-11-6-5-10-19(20)21(23-26)22-13-9-16-25-14-7-4-8-15-25/h5-6,10-11,18H,4,7-9,12-17H2,1-3H3,(H,22,23)
InChIKey
PXXAAUGAWMKMJG-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)butyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.28925 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.29653 190.5
[M+Na]+ 380.27847 193.1
[M-H]- 356.28197 193.9
[M+NH4]+ 375.32307 201.7
[M+K]+ 396.25241 188.7
[M+H-H2O]+ 340.28651 178.9
[M+HCOO]- 402.28745 207.7
[M+CH3COO]- 416.30310 225.3
[M+Na-2H]- 378.26392 191.1
[M]+ 357.28870 190.2
[M]- 357.28980 190.2
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