CID 375586

Nsc655400

Structural Information

Molecular Formula
C22H33ClN4O2
SMILES
CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C
InChI
InChI=1S/C22H33ClN4O2/c1-4-25(5-2)14-18-8-6-7-11-26(18)15-22(29)27-16(3)12-21(28)24-19-10-9-17(23)13-20(19)27/h9-10,13,16,18H,4-8,11-12,14-15H2,1-3H3,(H,24,28)
InChIKey
JFHMBOHEIJCTAZ-UHFFFAOYSA-N
Compound name
7-chloro-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

420.22922 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23650 201.7
[M+Na]+ 443.21844 205.5
[M-H]- 419.22194 204.6
[M+NH4]+ 438.26304 209.2
[M+K]+ 459.19238 204.3
[M+H-H2O]+ 403.22648 190.4
[M+HCOO]- 465.22742 207.5
[M+CH3COO]- 479.24307 230.3
[M+Na-2H]- 441.20389 198.3
[M]+ 420.22867 197.4
[M]- 420.22977 197.4
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.