CID 366831

Nsc635603

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
CCN(CC)CC(=O)NC1C2=C(C=C(C=C2)Cl)OC3=C(C=CC=C13)C
InChI
InChI=1S/C20H23ClN2O2/c1-4-23(5-2)12-18(24)22-19-15-10-9-14(21)11-17(15)25-20-13(3)7-6-8-16(19)20/h6-11,19H,4-5,12H2,1-3H3,(H,22,24)
InChIKey
JNASSZGCMJFNQS-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1448 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15208 187.2
[M+Na]+ 381.13402 194.4
[M-H]- 357.13752 193.9
[M+NH4]+ 376.17862 202.0
[M+K]+ 397.10796 190.5
[M+H-H2O]+ 341.14206 179.6
[M+HCOO]- 403.14300 202.6
[M+CH3COO]- 417.15865 225.0
[M+Na-2H]- 379.11947 190.9
[M]+ 358.14425 192.7
[M]- 358.14535 192.7
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.