CID 377481

Nsc658949

Structural Information

Molecular Formula
C22H34N4O2
SMILES
CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C
InChI
InChI=1S/C22H34N4O2/c1-4-24(5-2)15-18-10-8-9-13-25(18)16-22(28)26-17(3)14-21(27)23-19-11-6-7-12-20(19)26/h6-7,11-12,17-18H,4-5,8-10,13-16H2,1-3H3,(H,23,27)
InChIKey
CNAPNWNCRWDJDE-UHFFFAOYSA-N
Compound name
5-[2-[2-(diethylaminomethyl)piperidin-1-yl]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

386.2682 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27548 196.0
[M+Na]+ 409.25742 197.4
[M-H]- 385.26092 198.8
[M+NH4]+ 404.30202 203.4
[M+K]+ 425.23136 197.4
[M+H-H2O]+ 369.26546 184.6
[M+HCOO]- 431.26640 205.9
[M+CH3COO]- 445.28205 225.8
[M+Na-2H]- 407.24287 193.5
[M]+ 386.26765 189.2
[M]- 386.26875 189.2
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.