CID 3071555

Brn 4813890

Structural Information

Molecular Formula
C16H17N5
SMILES
C=CCN(CC=C)C1=NC2=CC=CC=C2N3C=NN=C3C1
InChI
InChI=1S/C16H17N5/c1-3-9-20(10-4-2)15-11-16-19-17-12-21(16)14-8-6-5-7-13(14)18-15/h3-8,12H,1-2,9-11H2
InChIKey
ICCMZPZSSWUUFP-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)-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

279.1484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15568 164.5
[M+Na]+ 302.13762 175.5
[M+NH4]+ 297.18222 170.8
[M+K]+ 318.11156 171.2
[M-H]- 278.14112 165.4
[M+Na-2H]- 300.12307 169.6
[M]+ 279.14785 166.2
[M]- 279.14895 166.2
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.