CID 3075589

187231-37-4

Structural Information

Molecular Formula
C17H25N5O
SMILES
CCN(CC)CCNC(=O)C1=C(C2=C(C=C(C(=C2)C)C)N=N1)N
InChI
InChI=1S/C17H25N5O/c1-5-22(6-2)8-7-19-17(23)16-15(18)13-9-11(3)12(4)10-14(13)20-21-16/h9-10H,5-8H2,1-4H3,(H2,18,20)(H,19,23)
InChIKey
MHJDREYXLOFFDT-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(diethylamino)ethyl]-6,7-dimethylcinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.2059 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.21318 179.3
[M+Na]+ 338.19512 186.0
[M-H]- 314.19862 182.2
[M+NH4]+ 333.23972 192.4
[M+K]+ 354.16906 182.6
[M+H-H2O]+ 298.20316 170.0
[M+HCOO]- 360.20410 200.7
[M+CH3COO]- 374.21975 222.2
[M+Na-2H]- 336.18057 182.1
[M]+ 315.20535 181.6
[M]- 315.20645 181.6
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.