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

10
Patents

246.18445 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.191726 157.7
[M+Na]+ 269.173668 164.2
[M-H]- 245.177174 159.4
[M+NH4]+ 264.218273 174.8
[M+K]+ 285.147608 160.4
[M+H-H2O]+ 229.181710 149.0
[M+HCOO]- 291.182651 181.2
[M+CH3COO]- 305.198301 200.6
[M+Na-2H]- 267.159116 164.0
[M]+ 246.18390142 159.8
[M]- 246.18499858 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