CID 3072683

143691-63-8

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CCC(=O)NC1=CC=C(C=C1)C2=NN(C(CC3=CC4=C(C=C32)OCO4)C)C(=O)CC
InChI
InChI=1S/C23H25N3O4/c1-4-21(27)24-17-8-6-15(7-9-17)23-18-12-20-19(29-13-30-20)11-16(18)10-14(3)26(25-23)22(28)5-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,27)
InChIKey
KXSOVXOKIJTMIP-UHFFFAOYSA-N
Compound name
N-[4-(8-methyl-7-propanoyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

407.1845 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.191776 200.2
[M+Na]+ 430.173718 206.3
[M-H]- 406.177224 208.7
[M+NH4]+ 425.218323 208.8
[M+K]+ 446.147658 207.8
[M+H-H2O]+ 390.181760 191.4
[M+HCOO]- 452.182701 214.3
[M+CH3COO]- 466.198351 208.8
[M+Na-2H]- 428.159166 200.2
[M]+ 407.18395142 201.1
[M]- 407.18504858 201.1
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