CID 3069229

Brn 4584184

Structural Information

Molecular Formula
C19H21N5O3
SMILES
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2[N+](=CC=C4)[O-]
InChI
InChI=1S/C19H21N5O3/c1-21-9-11-22(12-10-21)13-17(25)24-16-7-3-2-5-14(16)18(26)20-15-6-4-8-23(27)19(15)24/h2-8H,9-13H2,1H3,(H,20,26)
InChIKey
LWAFDXILIJEOLR-UHFFFAOYSA-N
Compound name
11-[2-(4-methylpiperazin-1-yl)acetyl]-1-oxido-5H-pyrido[2,3-b][1,4]benzodiazepin-1-ium-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 191.7
[M+Na]+ 390.15365 203.9
[M+NH4]+ 385.19825 196.3
[M+K]+ 406.12759 200.6
[M-H]- 366.15715 193.2
[M+Na-2H]- 388.13910 194.3
[M]+ 367.16388 193.6
[M]- 367.16498 193.6
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.