CID 129730

Isonoraptazepine

Structural Information

Molecular Formula
C15H17N3
SMILES
C1CN2CC3=CC=CC=C3N4C=CC=C4C2CN1
InChI
InChI=1S/C15H17N3/c1-2-5-13-12(4-1)11-17-9-7-16-10-15(17)14-6-3-8-18(13)14/h1-6,8,15-16H,7,9-11H2
InChIKey
HYVNCVDAKNYUHU-UHFFFAOYSA-N
Compound name
2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 154.2
[M+Na]+ 262.13146 161.3
[M-H]- 238.13496 156.1
[M+NH4]+ 257.17606 170.9
[M+K]+ 278.10540 157.5
[M+H-H2O]+ 222.13950 145.7
[M+HCOO]- 284.14044 167.2
[M+CH3COO]- 298.15609 164.1
[M+Na-2H]- 260.11691 159.7
[M]+ 239.14169 146.9
[M]- 239.14279 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.