CID 252664

Nsc74807

Structural Information

Molecular Formula
C15H21ClN4
SMILES
CCN(CC)CCCNC1=CN=NC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C15H21ClN4/c1-3-20(4-2)9-5-8-17-15-11-18-19-14-10-12(16)6-7-13(14)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKey
SOIMJVYXIAHAEG-UHFFFAOYSA-N
Compound name
N-(7-chlorocinnolin-4-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15276 168.9
[M+Na]+ 315.13470 176.2
[M-H]- 291.13820 171.3
[M+NH4]+ 310.17930 183.9
[M+K]+ 331.10864 171.1
[M+H-H2O]+ 275.14274 160.1
[M+HCOO]- 337.14368 186.6
[M+CH3COO]- 351.15933 211.2
[M+Na-2H]- 313.12015 175.4
[M]+ 292.14493 173.4
[M]- 292.14603 173.4
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.