CID 9588125

Brn 0844102

Structural Information

Molecular Formula
C17H27N5O3
SMILES
C/C(=N\NC1=NN=C(C=C1)N2CCOCC2)/CCC(=O)OC(C)(C)C
InChI
InChI=1S/C17H27N5O3/c1-13(5-8-16(23)25-17(2,3)4)18-19-14-6-7-15(21-20-14)22-9-11-24-12-10-22/h6-7H,5,8-12H2,1-4H3,(H,19,20)/b18-13+
InChIKey
SMNNWFAEVGCTTN-QGOAFFKASA-N
Compound name
tert-butyl (4E)-4-[(6-morpholin-4-ylpyridazin-3-yl)hydrazinylidene]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2114 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21868 186.8
[M+Na]+ 372.20062 189.1
[M-H]- 348.20412 190.0
[M+NH4]+ 367.24522 193.9
[M+K]+ 388.17456 188.3
[M+H-H2O]+ 332.20866 175.8
[M+HCOO]- 394.20960 201.9
[M+CH3COO]- 408.22525 218.7
[M+Na-2H]- 370.18607 190.6
[M]+ 349.21085 186.4
[M]- 349.21195 186.4
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.