CID 33476

Brn 0843339

Structural Information

Molecular Formula
C21H23ClN2O2
SMILES
CCCCOCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H23ClN2O2/c1-2-3-12-26-13-11-24-19-10-9-17(22)14-18(19)21(23-15-20(24)25)16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3
InChIKey
ZIABZLIOSXFICH-UHFFFAOYSA-N
Compound name
1-(2-butoxyethyl)-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1448 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15208 187.2
[M+Na]+ 393.13402 195.2
[M-H]- 369.13752 192.4
[M+NH4]+ 388.17862 198.3
[M+K]+ 409.10796 193.0
[M+H-H2O]+ 353.14206 177.5
[M+HCOO]- 415.14300 200.6
[M+CH3COO]- 429.15865 196.5
[M+Na-2H]- 391.11947 189.9
[M]+ 370.14425 189.3
[M]- 370.14535 189.3
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.