CID 375990

Nsc656355

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCOCC4
InChI
InChI=1S/C21H23ClN2O3/c1-14-3-2-4-17-20(16-6-5-15(22)13-18(16)27-21(14)17)23-19(25)7-8-24-9-11-26-12-10-24/h2-6,13,20H,7-12H2,1H3,(H,23,25)
InChIKey
GJOFNZPUGHHVOC-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1397 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 193.0
[M+Na]+ 409.12892 198.7
[M-H]- 385.13242 199.7
[M+NH4]+ 404.17352 202.7
[M+K]+ 425.10286 194.8
[M+H-H2O]+ 369.13696 183.2
[M+HCOO]- 431.13790 201.4
[M+CH3COO]- 445.15355 201.3
[M+Na-2H]- 407.11437 196.2
[M]+ 386.13915 193.8
[M]- 386.14025 193.8
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.