CID 375991

Nsc656356

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
CCN(CC)CCC(=O)NC1C2=C(C=C(C=C2)Cl)OC3=C(C=CC=C13)C
InChI
InChI=1S/C21H25ClN2O2/c1-4-24(5-2)12-11-19(25)23-20-16-10-9-15(22)13-18(16)26-21-14(3)7-6-8-17(20)21/h6-10,13,20H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKey
HDMNGWOXOWJJKZ-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.16046 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 191.9
[M+Na]+ 395.14968 198.6
[M-H]- 371.15318 198.4
[M+NH4]+ 390.19428 206.1
[M+K]+ 411.12362 194.5
[M+H-H2O]+ 355.15772 184.1
[M+HCOO]- 417.15866 207.0
[M+CH3COO]- 431.17431 227.9
[M+Na-2H]- 393.13513 195.0
[M]+ 372.15991 197.8
[M]- 372.16101 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.