CID 3087223

Brn 5538600

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=NC2=C(C3=C(C=C2)C=C(N3)C)N=C(C1)C
InChI
InChI=1S/C14H15N3/c1-8-6-9(2)17-14-12(15-8)5-4-11-7-10(3)16-13(11)14/h4-5,7,16H,6H2,1-3H3
InChIKey
SAMLPJHOPRHIOW-UHFFFAOYSA-N
Compound name
2,4,9-trimethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 150.7
[M+Na]+ 248.115818 162.3
[M-H]- 224.119324 153.8
[M+NH4]+ 243.160423 168.3
[M+K]+ 264.089758 159.9
[M+H-H2O]+ 208.123860 143.3
[M+HCOO]- 270.124801 169.7
[M+CH3COO]- 284.140451 163.2
[M+Na-2H]- 246.101266 156.8
[M]+ 225.12605142 150.4
[M]- 225.12714858 150.4
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.