CID 3045847

1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-((methylamino)methylene)-6-phenyl-, (z)-

Structural Information

Molecular Formula
C19H15ClN4O
SMILES
CN=CC1=C(N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C19H15ClN4O/c1-21-10-15-19(25)24-16-8-7-13(20)9-14(16)18(22-11-17(24)23-15)12-5-3-2-4-6-12/h2-10,25H,11H2,1H3
InChIKey
VLRBHZQPESIYLS-UHFFFAOYSA-N
Compound name
8-chloro-2-(methyliminomethyl)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.09344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10072 181.9
[M+Na]+ 373.08266 196.4
[M+NH4]+ 368.12726 189.3
[M+K]+ 389.05660 190.2
[M-H]- 349.08616 185.9
[M+Na-2H]- 371.06811 188.9
[M]+ 350.09289 185.5
[M]- 350.09399 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.