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

89
Patents

297.19534 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20262 172.9
[M+Na]+ 320.18456 182.7
[M-H]- 296.18806 176.5
[M+NH4]+ 315.22916 189.0
[M+K]+ 336.15850 177.9
[M+H-H2O]+ 280.19260 163.4
[M+HCOO]- 342.19354 195.2
[M+CH3COO]- 356.20919 184.4
[M+Na-2H]- 318.17001 178.7
[M]+ 297.19479 178.3
[M]- 297.19589 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