CID 3068043

3-(3-diethylaminopropylamino)indazole

Structural Information

Molecular Formula
C14H22N4
SMILES
CCN(CC)CCCNC1=NNC2=CC=CC=C21
InChI
InChI=1S/C14H22N4/c1-3-18(4-2)11-7-10-15-14-12-8-5-6-9-13(12)16-17-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16,17)
InChIKey
PAUXKWZTVHMMJP-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

246.18445 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19173 157.7
[M+Na]+ 269.17367 164.2
[M-H]- 245.17717 159.4
[M+NH4]+ 264.21827 174.8
[M+K]+ 285.14761 160.4
[M+H-H2O]+ 229.18171 149.0
[M+HCOO]- 291.18265 181.2
[M+CH3COO]- 305.19830 200.6
[M+Na-2H]- 267.15912 164.0
[M]+ 246.18390 159.8
[M]- 246.18500 159.8
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