CID 27551

15918-75-9

Structural Information

Molecular Formula
C14H18N2
SMILES
CN1CCC2=C(CC1)N(C3=CC=CC=C23)C
InChI
InChI=1S/C14H18N2/c1-15-9-7-12-11-5-3-4-6-13(11)16(2)14(12)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
QZKMZMYWNBQFQN-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 147.0
[M+Na]+ 237.136218 155.9
[M-H]- 213.139724 151.6
[M+NH4]+ 232.180823 166.5
[M+K]+ 253.110158 154.5
[M+H-H2O]+ 197.144260 140.3
[M+HCOO]- 259.145201 165.9
[M+CH3COO]- 273.160851 159.5
[M+Na-2H]- 235.121666 152.3
[M]+ 214.14645142 144.8
[M]- 214.14754858 144.8
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

patents stripe