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 155.4
[M+Na]+ 262.13146 167.4
[M-H]- 238.13496 158.8
[M+NH4]+ 257.17606 172.7
[M+K]+ 278.10540 165.0
[M+H-H2O]+ 222.13950 148.1
[M+HCOO]- 284.14044 174.0
[M+CH3COO]- 298.15609 167.9
[M+Na-2H]- 260.11691 160.2
[M]+ 239.14169 155.9
[M]- 239.14279 155.9
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.