CID 3072684

143691-64-9

Structural Information

Molecular Formula
C20H19N3O4
SMILES
CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)NC=O)OCO3
InChI
InChI=1S/C20H19N3O4/c1-12-7-15-8-18-19(27-11-26-18)9-17(15)20(22-23(12)13(2)25)14-3-5-16(6-4-14)21-10-24/h3-6,8-10,12H,7,11H2,1-2H3,(H,21,24)
InChIKey
MDXZLKBLGBTWIR-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]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 187.1
[M+Na]+ 388.12676 194.7
[M-H]- 364.13026 196.0
[M+NH4]+ 383.17136 197.3
[M+K]+ 404.10070 196.1
[M+H-H2O]+ 348.13480 178.6
[M+HCOO]- 410.13574 203.1
[M+CH3COO]- 424.15139 197.0
[M+Na-2H]- 386.11221 189.6
[M]+ 365.13699 187.7
[M]- 365.13809 187.7
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

patents stripe