CID 162345628

Ns00132952

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC=C2C(=C1)C3=C(C(=CC=C3)O)N=C(N2)N
InChI
InChI=1S/C13H11N3O/c14-13-15-10-6-2-1-4-8(10)9-5-3-7-11(17)12(9)16-13/h1-7,17H,(H3,14,15,16)
InChIKey
XSNJZXVPKUNLJO-UHFFFAOYSA-N
Compound name
6-amino-7H-benzo[d][1,3]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 148.5
[M+Na]+ 248.079428 157.4
[M-H]- 224.082934 150.6
[M+NH4]+ 243.124033 164.0
[M+K]+ 264.053368 156.1
[M+H-H2O]+ 208.087470 141.9
[M+HCOO]- 270.088411 166.3
[M+CH3COO]- 284.104061 159.7
[M+Na-2H]- 246.064876 157.1
[M]+ 225.08966142 143.3
[M]- 225.09075858 143.3
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.