CID 13382914

90931-95-6

Structural Information

Molecular Formula
C16H27N5O3
SMILES
CC(CN(C)C1=NN=C(C=C1)N/N=C(\C)/CC(=O)OC(C)(C)C)O
InChI
InChI=1S/C16H27N5O3/c1-11(9-15(23)24-16(3,4)5)17-18-13-7-8-14(20-19-13)21(6)10-12(2)22/h7-8,12,22H,9-10H2,1-6H3,(H,18,19)/b17-11+
InChIKey
XNYRYIATHBNSAV-GZTJUZNOSA-N
Compound name
tert-butyl (3E)-3-[[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2114 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21868 182.9
[M+Na]+ 360.20062 186.0
[M-H]- 336.20412 184.9
[M+NH4]+ 355.24522 193.6
[M+K]+ 376.17456 186.2
[M+H-H2O]+ 320.20866 173.8
[M+HCOO]- 382.20960 202.8
[M+CH3COO]- 396.22525 222.8
[M+Na-2H]- 358.18607 185.0
[M]+ 337.21085 186.1
[M]- 337.21195 186.1
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.