CID 6312649

Oroidin

Structural Information

Molecular Formula
C11H11Br2N5O
SMILES
C1=C(NC(=C1Br)Br)C(=O)NC/C=C/C2=CN=C(N2)N
InChI
InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+
InChIKey
QKJAXHBFQSBDAR-OWOJBTEDSA-N
Compound name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

152
Patents

386.93304 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.94032 160.7
[M+Na]+ 409.92226 170.9
[M-H]- 385.92576 165.3
[M+NH4]+ 404.96686 174.9
[M+K]+ 425.89620 153.1
[M+H-H2O]+ 369.93030 165.5
[M+HCOO]- 431.93124 175.7
[M+CH3COO]- 445.94689 213.2
[M+Na-2H]- 407.90771 163.5
[M]+ 386.93249 191.6
[M]- 386.93359 191.6
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.