CID 193063

25627-79-6

Structural Information

Molecular Formula
C17H23N5
SMILES
CC1=NN(C2=NC3=CC=CC=C3C(=C12)NCCCN(C)C)C
InChI
InChI=1S/C17H23N5/c1-12-15-16(18-10-7-11-21(2)3)13-8-5-6-9-14(13)19-17(15)22(4)20-12/h5-6,8-9H,7,10-11H2,1-4H3,(H,18,19)
InChIKey
PEGJUOKGCQTYPH-UHFFFAOYSA-N
Compound name
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

297.19534 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.202616 172.9
[M+Na]+ 320.184558 182.7
[M-H]- 296.188064 176.5
[M+NH4]+ 315.229163 189.0
[M+K]+ 336.158498 177.9
[M+H-H2O]+ 280.192600 163.4
[M+HCOO]- 342.193541 195.2
[M+CH3COO]- 356.209191 184.4
[M+Na-2H]- 318.170006 178.7
[M]+ 297.19479142 178.3
[M]- 297.19588858 178.3
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