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 179.1
[M+Na]+ 360.09866 190.6
[M-H]- 336.10216 185.4
[M+NH4]+ 355.14326 192.1
[M+K]+ 376.07260 187.6
[M+H-H2O]+ 320.10670 167.3
[M+HCOO]- 382.10764 193.8
[M+CH3COO]- 396.12329 189.8
[M+Na-2H]- 358.08411 184.0
[M]+ 337.10889 181.0
[M]- 337.10999 181.0
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.