CID 3087219

Brn 5591711

Structural Information

Molecular Formula
C20H19N3
SMILES
CC1=NC2=C(C3=C(C=C2)C(=C(N3)C4=CC=CC=C4)C)N=C(C1)C
InChI
InChI=1S/C20H19N3/c1-12-11-13(2)22-20-17(21-12)10-9-16-14(3)18(23-19(16)20)15-7-5-4-6-8-15/h4-10,23H,11H2,1-3H3
InChIKey
BKCJKCFRNKCKMO-UHFFFAOYSA-N
Compound name
2,4,8-trimethyl-9-phenyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1579 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16518 175.1
[M+Na]+ 324.14712 186.5
[M-H]- 300.15062 181.2
[M+NH4]+ 319.19172 189.5
[M+K]+ 340.12106 182.2
[M+H-H2O]+ 284.15516 166.5
[M+HCOO]- 346.15610 193.3
[M+CH3COO]- 360.17175 186.2
[M+Na-2H]- 322.13257 179.2
[M]+ 301.15735 174.7
[M]- 301.15845 174.7
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.