CID 3045859

Brn 0633454

Structural Information

Molecular Formula
C26H26ClN5O
SMILES
C1CC1CN2CCN(CC2)/C=C/3\C(=O)N4C(=N3)CN=C(C5=C4C=CC(=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C26H26ClN5O/c27-20-8-9-23-21(14-20)25(19-4-2-1-3-5-19)28-15-24-29-22(26(33)32(23)24)17-31-12-10-30(11-13-31)16-18-6-7-18/h1-5,8-9,14,17-18H,6-7,10-13,15-16H2/b22-17+
InChIKey
JTQHLLFLHQKKJN-OQKWZONESA-N
Compound name
(2E)-8-chloro-2-[[4-(cyclopropylmethyl)piperazin-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

459.1826 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18988 214.8
[M+Na]+ 482.17182 230.0
[M+NH4]+ 477.21642 221.7
[M+K]+ 498.14576 223.8
[M-H]- 458.17532 225.9
[M+Na-2H]- 480.15727 222.3
[M]+ 459.18205 221.5
[M]- 459.18315 221.5
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.