CID 3069091

Brn 5625171

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CN(C)CCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)OC)CCN(C)C
InChI
InChI=1S/C20H30N4O2/c1-21(2)10-12-23-9-8-16-17-14-15(26-5)6-7-18(17)24(13-11-22(3)4)19(16)20(23)25/h6-7,14H,8-13H2,1-5H3
InChIKey
ODVNJSVSCCYXSP-UHFFFAOYSA-N
Compound name
2,9-bis[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.23688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24416 189.3
[M+Na]+ 381.22610 196.4
[M-H]- 357.22960 194.6
[M+NH4]+ 376.27070 204.6
[M+K]+ 397.20004 193.8
[M+H-H2O]+ 341.23414 180.0
[M+HCOO]- 403.23508 209.9
[M+CH3COO]- 417.25073 230.7
[M+Na-2H]- 379.21155 190.3
[M]+ 358.23633 196.0
[M]- 358.23743 196.0
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

No patent data available for this compound.