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]+ 326.23393 182.1
[M+Na]+ 348.21587 190.8
[M-H]- 324.21937 185.2
[M+NH4]+ 343.26047 196.9
[M+K]+ 364.18981 185.6
[M+H-H2O]+ 308.22391 172.1
[M+HCOO]- 370.22485 203.6
[M+CH3COO]- 384.24050 221.8
[M+Na-2H]- 346.20132 186.7
[M]+ 325.22610 188.1
[M]- 325.22720 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.