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]+ 410.17104 198.1
[M+Na]+ 432.15298 204.3
[M-H]- 408.15648 206.8
[M+NH4]+ 427.19758 206.5
[M+K]+ 448.12692 206.9
[M+H-H2O]+ 392.16102 189.4
[M+HCOO]- 454.16196 212.6
[M+CH3COO]- 468.17761 206.9
[M+Na-2H]- 430.13843 198.9
[M]+ 409.16321 200.0
[M]- 409.16431 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.