CID 9555358

Up9uwu3dum

Structural Information

Molecular Formula
C20H20Cl2N4O2
SMILES
C/C(=N\NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl)/C(OC)OC
InChI
InChI=1S/C20H20Cl2N4O2/c1-12(20(27-2)28-3)25-26-18-11-23-19(14-6-4-5-7-16(14)22)15-10-13(21)8-9-17(15)24-18/h4-10,20H,11H2,1-3H3,(H,24,26)/b25-12+
InChIKey
WUCKKJHMSZOXLN-BRJLIKDPSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-N-[(E)-1,1-dimethoxypropan-2-ylideneamino]-3H-1,4-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.09634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10362 194.9
[M+Na]+ 441.08556 203.9
[M-H]- 417.08906 201.4
[M+NH4]+ 436.13016 205.1
[M+K]+ 457.05950 203.6
[M+H-H2O]+ 401.09360 184.7
[M+HCOO]- 463.09454 207.2
[M+CH3COO]- 477.11019 204.1
[M+Na-2H]- 439.07101 198.2
[M]+ 418.09579 199.0
[M]- 418.09689 199.0
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.