CID 387312

Nsc681025

Structural Information

Molecular Formula
C16H20N4
SMILES
CCN(CC)C1=NC2=CC=CC=C2N3C(=CN=C3C1)C
InChI
InChI=1S/C16H20N4/c1-4-19(5-2)16-10-15-17-11-12(3)20(15)14-9-7-6-8-13(14)18-16/h6-9,11H,4-5,10H2,1-3H3
InChIKey
VFJBCBFIYXERGI-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-methyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 163.2
[M+Na]+ 291.15802 171.9
[M-H]- 267.16152 168.0
[M+NH4]+ 286.20262 179.7
[M+K]+ 307.13196 171.3
[M+H-H2O]+ 251.16606 154.0
[M+HCOO]- 313.16700 183.1
[M+CH3COO]- 327.18265 174.7
[M+Na-2H]- 289.14347 168.3
[M]+ 268.16825 164.0
[M]- 268.16935 164.0
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.