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]+ 240.149516 155.4
[M+Na]+ 262.131458 167.4
[M-H]- 238.134964 158.8
[M+NH4]+ 257.176063 172.7
[M+K]+ 278.105398 165.0
[M+H-H2O]+ 222.139500 148.1
[M+HCOO]- 284.140441 174.0
[M+CH3COO]- 298.156091 167.9
[M+Na-2H]- 260.116906 160.2
[M]+ 239.14169142 155.9
[M]- 239.14278858 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.