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]+ 351.100716 184.1
[M+Na]+ 373.082658 196.0
[M-H]- 349.086164 190.7
[M+NH4]+ 368.127263 197.6
[M+K]+ 389.056598 192.1
[M+H-H2O]+ 333.090700 174.0
[M+HCOO]- 395.091641 199.7
[M+CH3COO]- 409.107291 194.7
[M+Na-2H]- 371.068106 188.4
[M]+ 350.09289142 185.7
[M]- 350.09398858 185.7
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.