CID 13291896

4-ethyl-6h-pyrrolo(1,2-a)(1,4)benzodiazepine

Structural Information

Molecular Formula
C14H14N2
SMILES
CCC1=NCC2=CC=CC=C2N3C1=CC=C3
InChI
InChI=1S/C14H14N2/c1-2-12-14-8-5-9-16(14)13-7-4-3-6-11(13)10-15-12/h3-9H,2,10H2,1H3
InChIKey
WNLAYJZRFVHBHD-UHFFFAOYSA-N
Compound name
4-ethyl-6H-pyrrolo[1,2-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 144.9
[M+Na]+ 233.10491 157.7
[M+NH4]+ 228.14951 154.0
[M+K]+ 249.07885 152.7
[M-H]- 209.10841 147.5
[M+Na-2H]- 231.09036 151.8
[M]+ 210.11514 147.7
[M]- 210.11624 147.7
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.