CID 3044864

Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-5-chloro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, maleate

Structural Information

Molecular Formula
C17H23ClN2O
SMILES
CC1(C2=C(CCO1)C3=C(N2C)C=CC=C3Cl)CCN(C)C
InChI
InChI=1S/C17H23ClN2O/c1-17(9-10-19(2)3)16-12(8-11-21-17)15-13(18)6-5-7-14(15)20(16)4/h5-7H,8-11H2,1-4H3
InChIKey
IJVCSHLUFSAZKZ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1499 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15718 172.6
[M+Na]+ 329.13912 183.0
[M-H]- 305.14262 178.8
[M+NH4]+ 324.18372 192.8
[M+K]+ 345.11306 178.9
[M+H-H2O]+ 289.14716 166.0
[M+HCOO]- 351.14810 188.2
[M+CH3COO]- 365.16375 185.0
[M+Na-2H]- 327.12457 176.8
[M]+ 306.14935 179.0
[M]- 306.15045 179.0
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