CID 3021358

1-(3-piperidinobutyl)-3-(3-dimethylamino-n-butylamino)indazole

Structural Information

Molecular Formula
C22H37N5
SMILES
CC(CCN1C2=CC=CC=C2C(=N1)NCCC(C)N(C)C)N3CCCCC3
InChI
InChI=1S/C22H37N5/c1-18(25(3)4)12-14-23-22-20-10-6-7-11-21(20)27(24-22)17-13-19(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
WNWVWAYDGWFUPO-UHFFFAOYSA-N
Compound name
3-N,3-N-dimethyl-1-N-[1-(3-piperidin-1-ylbutyl)indazol-3-yl]butane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.3049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.312176 195.3
[M+Na]+ 394.294118 197.1
[M-H]- 370.297624 198.6
[M+NH4]+ 389.338723 205.9
[M+K]+ 410.268058 193.0
[M+H-H2O]+ 354.302160 183.8
[M+HCOO]- 416.303101 211.2
[M+CH3COO]- 430.318751 229.1
[M+Na-2H]- 392.279566 194.3
[M]+ 371.30435142 194.8
[M]- 371.30544858 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