CID 366827

Nsc635599

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCN(CC)CCC(=O)NC1C2=CC=CC=C2OC3=C(C=CC=C13)C
InChI
InChI=1S/C21H26N2O2/c1-4-23(5-2)14-13-19(24)22-20-16-10-6-7-12-18(16)25-21-15(3)9-8-11-17(20)21/h6-12,20H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKey
AZBIGTAPZFFJAP-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.9
[M+Na]+ 361.18865 188.8
[M-H]- 337.19215 190.2
[M+NH4]+ 356.23325 198.2
[M+K]+ 377.16259 186.3
[M+H-H2O]+ 321.19669 175.0
[M+HCOO]- 383.19763 203.5
[M+CH3COO]- 397.21328 223.2
[M+Na-2H]- 359.17410 188.3
[M]+ 338.19888 186.8
[M]- 338.19998 186.8
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.