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

literature stripe

Patent stripe

patents stripe