CID 9589466

Upenazime

Structural Information

Molecular Formula
C14H30N4O2
SMILES
C/C(=N\O)/C(NCCCCNC(/C(=N/O)/C)(C)C)(C)C
InChI
InChI=1S/C14H30N4O2/c1-11(17-19)13(3,4)15-9-7-8-10-16-14(5,6)12(2)18-20/h15-16,19-20H,7-10H2,1-6H3/b17-11+,18-12+
InChIKey
HOZDZMALDHKOFZ-JYFOCSDGSA-N
Compound name
(NE)-N-[3-[4-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

286.23688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24416 172.4
[M+Na]+ 309.22610 173.8
[M-H]- 285.22960 171.8
[M+NH4]+ 304.27070 186.9
[M+K]+ 325.20004 173.5
[M+H-H2O]+ 269.23414 165.9
[M+HCOO]- 331.23508 193.4
[M+CH3COO]- 345.25073 214.8
[M+Na-2H]- 307.21155 175.7
[M]+ 286.23633 172.3
[M]- 286.23743 172.3
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.