CID 135463981

Brn 4816476

Structural Information

Molecular Formula
C17H15N5
SMILES
CN=C1CC2=NN=C(N2C3=CC=CC=C3N1)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5/c1-18-15-11-16-20-21-17(12-7-3-2-4-8-12)22(16)14-10-6-5-9-13(14)19-15/h2-10H,11H2,1H3,(H,18,19)
InChIKey
QOTNGWRQXBLDSN-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 169.7
[M+Na]+ 312.12197 178.8
[M-H]- 288.12547 174.8
[M+NH4]+ 307.16657 182.7
[M+K]+ 328.09591 175.2
[M+H-H2O]+ 272.13001 158.6
[M+HCOO]- 334.13095 187.5
[M+CH3COO]- 348.14660 179.8
[M+Na-2H]- 310.10742 175.8
[M]+ 289.13220 165.8
[M]- 289.13330 165.8
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.