CID 372557

Nsc647774

Structural Information

Molecular Formula
C23H36N4O2
SMILES
CC1CN(C2=CC=CC=C2NC1=O)C(=O)CN3CCC(CC3)CCCCN(C)C
InChI
InChI=1S/C23H36N4O2/c1-18-16-27(21-10-5-4-9-20(21)24-23(18)29)22(28)17-26-14-11-19(12-15-26)8-6-7-13-25(2)3/h4-5,9-10,18-19H,6-8,11-17H2,1-3H3,(H,24,29)
InChIKey
XTGGWYJOYQHGMQ-UHFFFAOYSA-N
Compound name
5-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29108 200.1
[M+Na]+ 423.27302 201.1
[M-H]- 399.27652 202.8
[M+NH4]+ 418.31762 207.0
[M+K]+ 439.24696 200.9
[M+H-H2O]+ 383.28106 188.6
[M+HCOO]- 445.28200 209.7
[M+CH3COO]- 459.29765 228.6
[M+Na-2H]- 421.25847 197.2
[M]+ 400.28325 193.7
[M]- 400.28435 193.7
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

No patent data available for this compound.