CID 3045835

Brn 0632298

Structural Information

Molecular Formula
C23H22ClN5O
SMILES
CN1CCN(CC1)/C=C/2\C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C23H22ClN5O/c1-27-9-11-28(12-10-27)15-19-23(30)29-20-8-7-17(24)13-18(20)22(25-14-21(29)26-19)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3/b19-15+
InChIKey
CESZFDMCWXRLMR-XDJHFCHBSA-N
Compound name
(2E)-8-chloro-2-[(4-methylpiperazin-1-yl)methylidene]-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.15128 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15856 204.4
[M+Na]+ 442.14050 218.5
[M+NH4]+ 437.18510 210.7
[M+K]+ 458.11444 212.0
[M-H]- 418.14400 208.3
[M+Na-2H]- 440.12595 209.7
[M]+ 419.15073 207.8
[M]- 419.15183 207.8
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.