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

0
Patents

365.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.144816 187.1
[M+Na]+ 388.126758 194.7
[M-H]- 364.130264 196.0
[M+NH4]+ 383.171363 197.3
[M+K]+ 404.100698 196.1
[M+H-H2O]+ 348.134800 178.6
[M+HCOO]- 410.135741 203.1
[M+CH3COO]- 424.151391 197.0
[M+Na-2H]- 386.112206 189.6
[M]+ 365.13699142 187.7
[M]- 365.13808858 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