CID 6410663

Sr 95084

Structural Information

Molecular Formula
C17H24N4O
SMILES
CCN(CCNC1=NN=C(C=C1C)C2=CC=CC=C2)CCO
InChI
InChI=1S/C17H24N4O/c1-3-21(11-12-22)10-9-18-17-14(2)13-16(19-20-17)15-7-5-4-6-8-15/h4-8,13,22H,3,9-12H2,1-2H3,(H,18,20)
InChIKey
JTOKITVRMPZYCP-UHFFFAOYSA-N
Compound name
2-[ethyl-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

300.195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 173.3
[M+Na]+ 323.18422 178.4
[M-H]- 299.18772 176.8
[M+NH4]+ 318.22882 185.0
[M+K]+ 339.15816 174.2
[M+H-H2O]+ 283.19226 163.0
[M+HCOO]- 345.19320 195.3
[M+CH3COO]- 359.20885 211.4
[M+Na-2H]- 321.16967 178.3
[M]+ 300.19445 174.6
[M]- 300.19555 174.6
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

patents stripe