CID 3076969

Brn 4201406

Structural Information

Molecular Formula
C18H17N5
SMILES
CN(C)C1=NC2=CC=CC=C2N3C(=NN=C3C4=CC=CC=C4)C1
InChI
InChI=1S/C18H17N5/c1-22(2)16-12-17-20-21-18(13-8-4-3-5-9-13)23(17)15-11-7-6-10-14(15)19-16/h3-11H,12H2,1-2H3
InChIKey
GXNMIPBIXDHBTM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenyl-4H-[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

303.1484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 172.2
[M+Na]+ 326.13762 185.7
[M+NH4]+ 321.18222 179.7
[M+K]+ 342.11156 180.8
[M-H]- 302.14112 176.2
[M+Na-2H]- 324.12307 180.2
[M]+ 303.14785 175.4
[M]- 303.14895 175.4
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.