CID 3075242

173087-59-7

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)NC(=O)CN)OCO3
InChI
InChI=1S/C21H22N4O4/c1-12-7-15-8-18-19(29-11-28-18)9-17(15)21(24-25(12)13(2)26)14-3-5-16(6-4-14)23-20(27)10-22/h3-6,8-9,12H,7,10-11,22H2,1-2H3,(H,23,27)
InChIKey
XVMOXVNNERRUKJ-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-aminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

394.1641 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 200.2
[M+Na]+ 417.15332 209.2
[M+NH4]+ 412.19792 204.7
[M+K]+ 433.12726 207.4
[M-H]- 393.15682 205.0
[M+Na-2H]- 415.13877 201.4
[M]+ 394.16355 202.6
[M]- 394.16465 202.6
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