CID 3053212

6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-1-((4-(2-methyl-2-propenyl)-1-piperazinyl)acetyl)-

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CC(=C)CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C22H25N5O2/c1-16(2)14-25-10-12-26(13-11-25)15-20(28)27-19-8-4-3-6-17(19)22(29)24-18-7-5-9-23-21(18)27/h3-9H,1,10-15H2,2H3,(H,24,29)
InChIKey
IQLYRPKHTZFKLK-UHFFFAOYSA-N
Compound name
11-[2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.20084 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 197.5
[M+Na]+ 414.19006 202.5
[M-H]- 390.19356 198.2
[M+NH4]+ 409.23466 202.5
[M+K]+ 430.16400 199.1
[M+H-H2O]+ 374.19810 184.6
[M+HCOO]- 436.19904 203.7
[M+CH3COO]- 450.21469 202.7
[M+Na-2H]- 412.17551 197.8
[M]+ 391.20029 190.2
[M]- 391.20139 190.2
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

patents stripe