CID 6365718

3-(6-methoxy-1,4-dimethyl-9h-carbazol-2-yl)acrylic acid

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1=CC(=C(C2=C1C3=C(N2)C=CC(=C3)OC)C)/C=C/C(=O)O
InChI
InChI=1S/C18H17NO3/c1-10-8-12(4-7-16(20)21)11(2)18-17(10)14-9-13(22-3)5-6-15(14)19-18/h4-9,19H,1-3H3,(H,20,21)/b7-4+
InChIKey
AMXZMQUKJRFNLM-QPJJXVBHSA-N
Compound name
(E)-3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 168.7
[M+Na]+ 318.110068 179.6
[M-H]- 294.113574 171.4
[M+NH4]+ 313.154673 186.2
[M+K]+ 334.084008 173.4
[M+H-H2O]+ 278.118110 162.5
[M+HCOO]- 340.119051 187.6
[M+CH3COO]- 354.134701 201.6
[M+Na-2H]- 316.095516 171.1
[M]+ 295.12030142 172.5
[M]- 295.12139858 172.5
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.