CID 375988

Nsc656354

Structural Information

Molecular Formula
C23H28ClN3O3
SMILES
CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCN(CC4)CCO
InChI
InChI=1S/C23H28ClN3O3/c1-16-3-2-4-19-22(18-6-5-17(24)15-20(18)30-23(16)19)25-21(29)7-8-26-9-11-27(12-10-26)13-14-28/h2-6,15,22,28H,7-14H2,1H3,(H,25,29)
InChIKey
PLXNZYLEZNYLHB-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.18192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18920 204.6
[M+Na]+ 452.17114 209.5
[M-H]- 428.17464 207.9
[M+NH4]+ 447.21574 212.0
[M+K]+ 468.14508 203.5
[M+H-H2O]+ 412.17918 194.1
[M+HCOO]- 474.18012 210.4
[M+CH3COO]- 488.19577 210.9
[M+Na-2H]- 450.15659 205.5
[M]+ 429.18137 204.7
[M]- 429.18247 204.7
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.