CID 2319793

303016-91-3

Structural Information

Molecular Formula
C13H10BrN3
SMILES
C1C2=CC=CC=C2C(=N)N=C3N1C=C(C=C3)Br
InChI
InChI=1S/C13H10BrN3/c14-10-5-6-12-16-13(15)11-4-2-1-3-9(11)7-17(12)8-10/h1-6,8,15H,7H2
InChIKey
BYMBVSUQTABCPW-UHFFFAOYSA-N
Compound name
2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0058 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.01308 151.1
[M+Na]+ 309.99502 155.2
[M+NH4]+ 305.03962 156.1
[M+K]+ 325.96896 154.7
[M-H]- 285.99852 152.7
[M+Na-2H]- 307.98047 155.3
[M]+ 287.00525 151.2
[M]- 287.00635 151.2
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.