CID 162345300

Ns00132961

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=C2C(=C(C=C1)O)C3=C(C(=C(C=C3)O)C)NC(=N2)N
InChI
InChI=1S/C15H15N3O2/c1-7-3-5-11(20)12-9-4-6-10(19)8(2)14(9)18-15(16)17-13(7)12/h3-6,19-20H,1-2H3,(H3,16,17,18)
InChIKey
LZBOLQRYXNMCRS-UHFFFAOYSA-N
Compound name
6-amino-4,8-dimethyl-5H-benzo[d][1,3]benzodiazepine-3,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 163.4
[M+Na]+ 292.105638 173.3
[M-H]- 268.109144 165.0
[M+NH4]+ 287.150243 177.2
[M+K]+ 308.079578 172.2
[M+H-H2O]+ 252.113680 156.9
[M+HCOO]- 314.114621 179.0
[M+CH3COO]- 328.130271 173.8
[M+Na-2H]- 290.091086 168.2
[M]+ 269.11587142 159.6
[M]- 269.11696858 159.6
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.