CID 382591

Nsc670231

Structural Information

Molecular Formula
C17H18N2
SMILES
CC1=CC2=C3CCCCC3=NC2=C4C1=C(NC=C4)C
InChI
InChI=1S/C17H18N2/c1-10-9-14-12-5-3-4-6-15(12)19-17(14)13-7-8-18-11(2)16(10)13/h7-9,18H,3-6H2,1-2H3
InChIKey
LTSDATGTBPQMNS-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7,8,9,10-tetrahydro-3H-pyrido[4,3-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.5
[M+Na]+ 273.13622 168.8
[M-H]- 249.13972 161.2
[M+NH4]+ 268.18082 177.8
[M+K]+ 289.11016 161.6
[M+H-H2O]+ 233.14426 150.6
[M+HCOO]- 295.14520 174.9
[M+CH3COO]- 309.16085 170.1
[M+Na-2H]- 271.12167 164.0
[M]+ 250.14645 157.4
[M]- 250.14755 157.4
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.