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 170.2
[M+Na]+ 310.13146 181.1
[M-H]- 286.13496 176.1
[M+NH4]+ 305.17606 184.8
[M+K]+ 326.10540 177.0
[M+H-H2O]+ 270.13950 161.5
[M+HCOO]- 332.14044 188.7
[M+CH3COO]- 346.15609 181.4
[M+Na-2H]- 308.11691 175.5
[M]+ 287.14169 169.1
[M]- 287.14279 169.1
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

patents stripe