CID 51056393

100935-89-5

Structural Information

Molecular Formula
C19H27N5
SMILES
CCN1C2=NC3=CC=CC=C3C(=C2C(=N1)C)NCCN(CC)CC
InChI
InChI=1S/C19H27N5/c1-5-23(6-2)13-12-20-18-15-10-8-9-11-16(15)21-19-17(18)14(4)22-24(19)7-3/h8-11H,5-7,12-13H2,1-4H3,(H,20,21)
InChIKey
IXIGAALWDQMMMD-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.22665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.233926 182.1
[M+Na]+ 348.215868 190.8
[M-H]- 324.219374 185.2
[M+NH4]+ 343.260473 196.9
[M+K]+ 364.189808 185.6
[M+H-H2O]+ 308.223910 172.1
[M+HCOO]- 370.224851 203.6
[M+CH3COO]- 384.240501 221.8
[M+Na-2H]- 346.201316 186.7
[M]+ 325.22610142 188.1
[M]- 325.22719858 188.1
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

No patent data available for this compound.