CID 3087222

Brn 5541924

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1=NC2=C(C3=C(C=C2)C(=C(N3)C)C)N=C(C1)C
InChI
InChI=1S/C15H17N3/c1-8-7-9(2)17-15-13(16-8)6-5-12-10(3)11(4)18-14(12)15/h5-6,18H,7H2,1-4H3
InChIKey
YVPZIRKBYINIOI-UHFFFAOYSA-N
Compound name
2,4,8,9-tetramethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 153.8
[M+Na]+ 262.13146 167.5
[M+NH4]+ 257.17606 161.6
[M+K]+ 278.10540 163.1
[M-H]- 238.13496 155.5
[M+Na-2H]- 260.11691 159.4
[M]+ 239.14169 156.4
[M]- 239.14279 156.4
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.