CID 372558

Nsc647775

Structural Information

Molecular Formula
C25H40N4O2
SMILES
CCN(CC)CCCCC1CCN(CC1)CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C
InChI
InChI=1S/C25H40N4O2/c1-4-27(5-2)15-9-8-10-21-13-16-28(17-14-21)19-24(30)29-18-20(3)25(31)26-22-11-6-7-12-23(22)29/h6-7,11-12,20-21H,4-5,8-10,13-19H2,1-3H3,(H,26,31)
InChIKey
JVGJXYDMHHAVDU-UHFFFAOYSA-N
Compound name
5-[2-[4-[4-(diethylamino)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

428.31512 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32240 208.3
[M+Na]+ 451.30434 208.4
[M-H]- 427.30784 210.6
[M+NH4]+ 446.34894 214.0
[M+K]+ 467.27828 207.8
[M+H-H2O]+ 411.31238 196.4
[M+HCOO]- 473.31332 217.2
[M+CH3COO]- 487.32897 234.0
[M+Na-2H]- 449.28979 204.4
[M]+ 428.31457 202.5
[M]- 428.31567 202.5
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.