CID 3045864

Brn 0631011

Structural Information

Molecular Formula
C20H16Cl2N4O
SMILES
CCN=CC1=C(N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl)O
InChI
InChI=1S/C20H16Cl2N4O/c1-2-23-10-16-20(27)26-17-8-7-12(21)9-14(17)19(24-11-18(26)25-16)13-5-3-4-6-15(13)22/h3-10,27H,2,11H2,1H3
InChIKey
NUHHRUYYJZRQGR-UHFFFAOYSA-N
Compound name
8-chloro-6-(2-chlorophenyl)-2-(ethyliminomethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.07013 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07741 194.3
[M+Na]+ 421.05935 207.5
[M-H]- 397.06285 200.0
[M+NH4]+ 416.10395 206.8
[M+K]+ 437.03329 202.9
[M+H-H2O]+ 381.06739 183.7
[M+HCOO]- 443.06833 204.7
[M+CH3COO]- 457.08398 204.1
[M+Na-2H]- 419.04480 196.7
[M]+ 398.06958 197.6
[M]- 398.07068 197.6
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.