CID 162345542

Ns00132962

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC1=CC(=CC2=C1N=C(NC3=C2C(=C(C=C3C)O)O)N)O
InChI
InChI=1S/C15H15N3O3/c1-6-3-8(19)5-9-11-13(18-15(16)17-12(6)9)7(2)4-10(20)14(11)21/h3-5,19-21H,1-2H3,(H3,16,17,18)
InChIKey
UOAHJLYHTRTIPE-UHFFFAOYSA-N
Compound name
6-amino-4,8-dimethyl-5H-benzo[d][1,3]benzodiazepine-1,2,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.118606 167.8
[M+Na]+ 308.100548 177.8
[M-H]- 284.104054 168.5
[M+NH4]+ 303.145153 180.5
[M+K]+ 324.074488 177.3
[M+H-H2O]+ 268.108590 161.5
[M+HCOO]- 330.109531 182.1
[M+CH3COO]- 344.125181 177.7
[M+Na-2H]- 306.085996 171.5
[M]+ 285.11078142 164.1
[M]- 285.11187858 164.1
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.