CID 198351

Bl 3849a

Structural Information

Molecular Formula
C18H25N5
SMILES
CC1=CC2=C(C=C1)C(=C3C(=NN(C3=N2)C)C)NCCCN(C)C
InChI
InChI=1S/C18H25N5/c1-12-7-8-14-15(11-12)20-18-16(13(2)21-23(18)5)17(14)19-9-6-10-22(3)4/h7-8,11H,6,9-10H2,1-5H3,(H,19,20)
InChIKey
QCXVFERJHZWXNZ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

311.211 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21828 178.5
[M+Na]+ 334.20022 188.7
[M-H]- 310.20372 182.2
[M+NH4]+ 329.24482 194.2
[M+K]+ 350.17416 183.7
[M+H-H2O]+ 294.20826 169.0
[M+HCOO]- 356.20920 200.3
[M+CH3COO]- 370.22485 220.1
[M+Na-2H]- 332.18567 182.9
[M]+ 311.21045 184.6
[M]- 311.21155 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe