CID 9571170

(2e)-n-(5-amino-5-imino-pentyl)-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide

Structural Information

Molecular Formula
C17H25Br2N5O3
SMILES
C1=C(C=C(C(=C1Br)OCCCN)Br)C/C(=N\O)/C(=O)NCCCCC(=N)N
InChI
InChI=1S/C17H25Br2N5O3/c18-12-8-11(9-13(19)16(12)27-7-3-5-20)10-14(24-26)17(25)23-6-2-1-4-15(21)22/h8-9,26H,1-7,10,20H2,(H3,21,22)(H,23,25)/b24-14+
InChIKey
OLZLVPJFSUGYSZ-ZVHZXABRSA-N
Compound name
(2E)-N-(5-amino-5-iminopentyl)-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

505.0324 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.03968 190.5
[M+Na]+ 528.02162 193.6
[M-H]- 504.02512 193.8
[M+NH4]+ 523.06622 199.6
[M+K]+ 543.99556 175.2
[M+H-H2O]+ 488.02966 190.1
[M+HCOO]- 550.03060 204.5
[M+CH3COO]- 564.04625 243.3
[M+Na-2H]- 526.00707 188.9
[M]+ 505.03185 220.3
[M]- 505.03295 220.3
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.