CID 3073960

6h-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 8-chloro-n,n-dimethyl-6-phenyl-

Structural Information

Molecular Formula
C18H16ClN5
SMILES
CN(C)C1=CC2=NN=CN2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN5/c1-22(2)18-11-17-21-20-12-23(17)15-9-8-13(19)10-16(15)24(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKey
LFWRNVBAGPSUME-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10944 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11672 177.7
[M+Na]+ 360.09866 192.4
[M+NH4]+ 355.14326 185.5
[M+K]+ 376.07260 186.7
[M-H]- 336.10216 181.9
[M+Na-2H]- 358.08411 185.6
[M]+ 337.10889 181.5
[M]- 337.10999 181.5
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.