CID 49767916

(2z)-n-[3-(2-amino-1h-imidazol-5-yl)propyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide

Structural Information

Molecular Formula
C18H24Br2N6O3
SMILES
C1=C(C=C(C(=C1Br)OCCCN)Br)C/C(=N/O)/C(=O)NCCCC2=CN=C(N2)N
InChI
InChI=1S/C18H24Br2N6O3/c19-13-7-11(8-14(20)16(13)29-6-2-4-21)9-15(26-28)17(27)23-5-1-3-12-10-24-18(22)25-12/h7-8,10,28H,1-6,9,21H2,(H,23,27)(H3,22,24,25)/b26-15-
InChIKey
QHDZYLZWVQQOTP-YSMPRRRNSA-N
Compound name
(2Z)-N-[3-(2-amino-1H-imidazol-5-yl)propyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.02765 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.03493 191.2
[M+Na]+ 553.01687 195.8
[M-H]- 529.02037 195.4
[M+NH4]+ 548.06147 199.3
[M+K]+ 568.99081 177.8
[M+H-H2O]+ 513.02491 192.2
[M+HCOO]- 575.02585 204.3
[M+CH3COO]- 589.04150 241.4
[M+Na-2H]- 551.00232 190.8
[M]+ 530.02710 222.3
[M]- 530.02820 222.3
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.