CID 3087220

Brn 5576073

Structural Information

Molecular Formula
C19H17N3
SMILES
CC1=NC2=C(C3=C(C=C2)C=C(N3)C4=CC=CC=C4)N=C(C1)C
InChI
InChI=1S/C19H17N3/c1-12-10-13(2)21-19-16(20-12)9-8-15-11-17(22-18(15)19)14-6-4-3-5-7-14/h3-9,11,22H,10H2,1-2H3
InChIKey
OFVKRBITFIGVPN-UHFFFAOYSA-N
Compound name
2,4-dimethyl-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

287.14224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 169.0
[M+Na]+ 310.13146 184.3
[M+NH4]+ 305.17606 177.2
[M+K]+ 326.10540 178.2
[M-H]- 286.13496 173.1
[M+Na-2H]- 308.11691 177.3
[M]+ 287.14169 172.6
[M]- 287.14279 172.6
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.