CID 75054

Brn 0697128

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)O
InChI
InChI=1S/C19H23N3O2/c1-3-20(4-2)13-14-21-16-10-6-5-9-15(16)19(23)22(24)18-12-8-7-11-17(18)21/h5-12,24H,3-4,13-14H2,1-2H3
InChIKey
PUADUYHPJCGDTM-UHFFFAOYSA-N
Compound name
11-[2-(diethylamino)ethyl]-5-hydroxybenzo[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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 177.0
[M+Na]+ 348.16824 183.6
[M-H]- 324.17174 181.0
[M+NH4]+ 343.21284 189.9
[M+K]+ 364.14218 183.7
[M+H-H2O]+ 308.17628 168.6
[M+HCOO]- 370.17722 194.0
[M+CH3COO]- 384.19287 215.6
[M+Na-2H]- 346.15369 181.5
[M]+ 325.17847 176.9
[M]- 325.17957 176.9
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.