CID 3072686

143691-70-7

Structural Information

Molecular Formula
C22H23N3O5
SMILES
CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)NC(=O)COC)OCO3
InChI
InChI=1S/C22H23N3O5/c1-13-8-16-9-19-20(30-12-29-19)10-18(16)22(24-25(13)14(2)26)15-4-6-17(7-5-15)23-21(27)11-28-3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,23,27)
InChIKey
QCXGBQVOPCRLKK-UHFFFAOYSA-N
Compound name
N-[4-(7-acetyl-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.171036 198.1
[M+Na]+ 432.152978 204.3
[M-H]- 408.156484 206.8
[M+NH4]+ 427.197583 206.5
[M+K]+ 448.126918 206.9
[M+H-H2O]+ 392.161020 189.4
[M+HCOO]- 454.161961 212.6
[M+CH3COO]- 468.177611 206.9
[M+Na-2H]- 430.138426 198.9
[M]+ 409.16321142 200.0
[M]- 409.16430858 200.0
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.