CID 387311

Nsc681024

Structural Information

Molecular Formula
C15H18N4
SMILES
CCN(CC)C1=NC2=CC=CC=C2N3C=CN=C3C1
InChI
InChI=1S/C15H18N4/c1-3-18(4-2)15-11-14-16-9-10-19(14)13-8-6-5-7-12(13)17-15/h5-10H,3-4,11H2,1-2H3
InChIKey
KXXPWIYUYZWVOO-UHFFFAOYSA-N
Compound name
N,N-diethyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 158.2
[M+Na]+ 277.14237 166.5
[M-H]- 253.14587 162.8
[M+NH4]+ 272.18697 175.0
[M+K]+ 293.11631 166.0
[M+H-H2O]+ 237.15041 149.0
[M+HCOO]- 299.15135 178.5
[M+CH3COO]- 313.16700 169.9
[M+Na-2H]- 275.12782 164.6
[M]+ 254.15260 158.4
[M]- 254.15370 158.4
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.