CID 154700139

Ns00117848

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CC1=NC=CC2=C1N(C3=CC=CC=C23)C4=CC=C(C=C4)NOC(=O)C
InChI
InChI=1S/C20H17N3O2/c1-13-20-18(11-12-21-13)17-5-3-4-6-19(17)23(20)16-9-7-15(8-10-16)22-25-14(2)24/h3-12,22H,1-2H3
InChIKey
ZHWHGQUDSADOPI-UHFFFAOYSA-N
Compound name
[4-(1-methylpyrido[3,4-b]indol-9-yl)anilino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 177.8
[M+Na]+ 354.12130 187.9
[M-H]- 330.12480 184.8
[M+NH4]+ 349.16590 192.6
[M+K]+ 370.09524 182.0
[M+H-H2O]+ 314.12934 168.2
[M+HCOO]- 376.13028 199.6
[M+CH3COO]- 390.14593 189.3
[M+Na-2H]- 352.10675 183.4
[M]+ 331.13153 181.9
[M]- 331.13263 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.