CID 3013908

Einecs 209-309-7

Structural Information

Molecular Formula
C23H30NO3
SMILES
CCC[N+](C)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C23H30NO3/c1-4-14-24(3,15-5-2)16-17-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,22H,4-5,14-17H2,1-3H3/q+1
InChIKey
RBGMATRRSDDANL-UHFFFAOYSA-N
Compound name
methyl-dipropyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.229836 192.4
[M+Na]+ 391.211778 196.6
[M-H]- 367.215284 198.4
[M+NH4]+ 386.256383 205.5
[M+K]+ 407.185718 188.4
[M+H-H2O]+ 351.219820 186.4
[M+HCOO]- 413.220761 209.4
[M+CH3COO]- 427.236411 217.5
[M+Na-2H]- 389.197226 200.4
[M]+ 368.22201142 196.1
[M]- 368.22310858 196.1
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.