CID 202741

2-(diisopropylamino)ethyl xanthene-9-acetate hydrochloride

Structural Information

Molecular Formula
C23H28ClNO3
SMILES
CC(C)N(CCOC(=O)CC1C2=C(C(=CC=C2)Cl)OC3=CC=CC=C13)C(C)C
InChI
InChI=1S/C23H28ClNO3/c1-15(2)25(16(3)4)12-13-27-22(26)14-19-17-8-5-6-11-21(17)28-23-18(19)9-7-10-20(23)24/h5-11,15-16,19H,12-14H2,1-4H3
InChIKey
MOAFRFMICJQCQP-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethyl 2-(4-chloro-9H-xanthen-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.17578 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18306 198.8
[M+Na]+ 424.16500 203.8
[M-H]- 400.16850 204.8
[M+NH4]+ 419.20960 211.6
[M+K]+ 440.13894 201.0
[M+H-H2O]+ 384.17304 191.0
[M+HCOO]- 446.17398 210.4
[M+CH3COO]- 460.18963 231.3
[M+Na-2H]- 422.15045 199.0
[M]+ 401.17523 205.9
[M]- 401.17633 205.9
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.