CID 375992

Nsc656357

Structural Information

Molecular Formula
C22H25ClN2O2
SMILES
CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCCCC4
InChI
InChI=1S/C22H25ClN2O2/c1-15-6-5-7-18-21(17-9-8-16(23)14-19(17)27-22(15)18)24-20(26)10-13-25-11-3-2-4-12-25/h5-9,14,21H,2-4,10-13H2,1H3,(H,24,26)
InChIKey
WERRZETVKYYIIY-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16774 192.8
[M+Na]+ 407.14968 198.0
[M-H]- 383.15318 198.6
[M+NH4]+ 402.19428 203.9
[M+K]+ 423.12362 192.2
[M+H-H2O]+ 367.15772 183.0
[M+HCOO]- 429.15866 201.6
[M+CH3COO]- 443.17431 200.8
[M+Na-2H]- 405.13513 195.1
[M]+ 384.15991 191.9
[M]- 384.16101 191.9
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.