CID 3021360

1-(3-dimethylaminobutyl)-3-(3-piperidinobutylamino)indazole

Structural Information

Molecular Formula
C22H37N5
SMILES
CC(CCNC1=NN(C2=CC=CC=C21)CCC(C)N(C)C)N3CCCCC3
InChI
InChI=1S/C22H37N5/c1-18(25(3)4)13-17-27-21-11-7-6-10-20(21)22(24-27)23-14-12-19(2)26-15-8-5-9-16-26/h6-7,10-11,18-19H,5,8-9,12-17H2,1-4H3,(H,23,24)
InChIKey
CBLBFCHUSBPVJX-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)butyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

371.3049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.31218 195.3
[M+Na]+ 394.29412 197.1
[M-H]- 370.29762 198.6
[M+NH4]+ 389.33872 205.9
[M+K]+ 410.26806 193.0
[M+H-H2O]+ 354.30216 183.8
[M+HCOO]- 416.30310 211.2
[M+CH3COO]- 430.31875 229.1
[M+Na-2H]- 392.27957 194.3
[M]+ 371.30435 194.8
[M]- 371.30545 194.8
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

patents stripe