CID 166171249

(4-(3,6-dimethoxy-9h-carbazol-9-yl)butyl)phosphonic acid

Structural Information

Molecular Formula
C18H22NO5P
SMILES
COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCP(=O)(O)O
InChI
InChI=1S/C18H22NO5P/c1-23-13-5-7-17-15(11-13)16-12-14(24-2)6-8-18(16)19(17)9-3-4-10-25(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22)
InChIKey
BBYPIKLULJQUEH-UHFFFAOYSA-N
Compound name
4-(3,6-dimethoxycarbazol-9-yl)butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

363.12357 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13085 187.3
[M+Na]+ 386.11279 195.7
[M-H]- 362.11629 188.2
[M+NH4]+ 381.15739 201.9
[M+K]+ 402.08673 191.9
[M+H-H2O]+ 346.12083 178.0
[M+HCOO]- 408.12177 210.3
[M+CH3COO]- 422.13742 212.6
[M+Na-2H]- 384.09824 188.9
[M]+ 363.12302 194.9
[M]- 363.12412 194.9
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

patents stripe