CID 10089677

Ageladine a

Structural Information

Molecular Formula
C10H7Br2N5
SMILES
C1=CN=C(C2=C1NC(=N2)N)C3=CC(=C(N3)Br)Br
InChI
InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
InChIKey
QAKGJAQGTQLMFN-UHFFFAOYSA-N
Compound name
4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

50
Patents

354.90683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.91411 150.5
[M+Na]+ 377.89605 163.6
[M-H]- 353.89955 155.8
[M+NH4]+ 372.94065 166.4
[M+K]+ 393.86999 147.1
[M+H-H2O]+ 337.90409 157.7
[M+HCOO]- 399.90503 164.8
[M+CH3COO]- 413.92068 163.6
[M+Na-2H]- 375.88150 156.1
[M]+ 354.90628 182.9
[M]- 354.90738 182.9
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