CID 3010892

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

Structural Information

Molecular Formula
C18H27Br2N5O2
SMILES
CN=C(CC1=CC(=C(C(=C1)Br)OCCCN)Br)C(=O)NCCCCC(=N)N
InChI
InChI=1S/C18H27Br2N5O2/c1-24-15(18(26)25-7-3-2-5-16(22)23)11-12-9-13(19)17(14(20)10-12)27-8-4-6-21/h9-10H,2-8,11,21H2,1H3,(H3,22,23)(H,25,26)
InChIKey
JRUAYVYDHNJDDC-UHFFFAOYSA-N
Compound name
N-(5-amino-5-iminopentyl)-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-methyliminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

503.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.06044 193.3
[M+Na]+ 526.04238 196.8
[M-H]- 502.04588 197.7
[M+NH4]+ 521.08698 203.3
[M+K]+ 542.01632 178.3
[M+H-H2O]+ 486.05042 193.1
[M+HCOO]- 548.05136 208.2
[M+CH3COO]- 562.06701 245.4
[M+Na-2H]- 524.02783 191.6
[M]+ 503.05261 224.0
[M]- 503.05371 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.