CID 29378

19007-31-9

Structural Information

Molecular Formula
C18H20N2
SMILES
CN1CCN2CCC3=CC=CC=C3C2C4=CC=CC=C41
InChI
InChI=1S/C18H20N2/c1-19-12-13-20-11-10-14-6-2-3-7-15(14)18(20)16-8-4-5-9-17(16)19/h2-9,18H,10-13H2,1H3
InChIKey
KBFMNITYIDHUPK-UHFFFAOYSA-N
Compound name
5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 161.2
[M+Na]+ 287.15188 168.1
[M-H]- 263.15538 165.3
[M+NH4]+ 282.19648 177.3
[M+K]+ 303.12582 165.2
[M+H-H2O]+ 247.15992 153.3
[M+HCOO]- 309.16086 175.0
[M+CH3COO]- 323.17651 171.3
[M+Na-2H]- 285.13733 168.0
[M]+ 264.16211 155.4
[M]- 264.16321 155.4
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.