CID 379651

Nsc664528

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42
InChI
InChI=1S/C25H32N4O2/c1-3-27(4-2)17-19-11-9-10-16-28(19)18-24(30)29-22-14-7-5-12-20(22)25(31)26-21-13-6-8-15-23(21)29/h5-8,12-15,19H,3-4,9-11,16-18H2,1-2H3,(H,26,31)
InChIKey
RLUNJKJUFRFYJM-UHFFFAOYSA-N
Compound name
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

420.25253 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25981 204.6
[M+Na]+ 443.24175 207.2
[M-H]- 419.24525 208.5
[M+NH4]+ 438.28635 211.5
[M+K]+ 459.21569 205.6
[M+H-H2O]+ 403.24979 193.1
[M+HCOO]- 465.25073 214.6
[M+CH3COO]- 479.26638 210.1
[M+Na-2H]- 441.22720 204.5
[M]+ 420.25198 198.9
[M]- 420.25308 198.9
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

patents stripe