CID 15473

1668-73-1

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CN1C2=C(C=C(C=C2)OC)C(=O)N(C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H23N3O2/c1-20(2)11-12-22-18-8-6-5-7-17(18)21(3)16-10-9-14(24-4)13-15(16)19(22)23/h5-10,13H,11-12H2,1-4H3
InChIKey
IGSLJBZRGKXPSB-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-8-methoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 176.6
[M+Na]+ 348.16824 188.5
[M+NH4]+ 343.21284 183.4
[M+K]+ 364.14218 182.6
[M-H]- 324.17174 179.2
[M+Na-2H]- 346.15369 181.3
[M]+ 325.17847 179.1
[M]- 325.17957 179.1
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.