CID 3088590

5-diisobutylaminoacetyl-4-methyl-1h-tetrahydro-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC(C)C)CC(C)C
InChI
InChI=1S/C20H31N3O2/c1-14(2)11-22(12-15(3)4)13-20(25)23-16(5)10-19(24)21-17-8-6-7-9-18(17)23/h6-9,14-16H,10-13H2,1-5H3,(H,21,24)
InChIKey
ZMXKCODNUGRFMW-UHFFFAOYSA-N
Compound name
5-[2-[bis(2-methylpropyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24164 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 181.4
[M+Na]+ 368.23086 183.9
[M-H]- 344.23436 183.6
[M+NH4]+ 363.27546 192.2
[M+K]+ 384.20480 186.0
[M+H-H2O]+ 328.23890 173.0
[M+HCOO]- 390.23984 194.4
[M+CH3COO]- 404.25549 220.9
[M+Na-2H]- 366.21631 179.3
[M]+ 345.24109 178.7
[M]- 345.24219 178.7
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.