CID 366830

Nsc635602

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CN(C)C
InChI
InChI=1S/C18H19ClN2O2/c1-11-5-4-6-14-17(20-16(22)10-21(2)3)13-8-7-12(19)9-15(13)23-18(11)14/h4-9,17H,10H2,1-3H3,(H,20,22)
InChIKey
OXVAMFOKPUJRPQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-5-methyl-9H-xanthen-9-yl)-2-(dimethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.6
[M+Na]+ 353.10272 185.7
[M-H]- 329.10622 184.8
[M+NH4]+ 348.14732 193.6
[M+K]+ 369.07666 182.3
[M+H-H2O]+ 313.11076 170.5
[M+HCOO]- 375.11170 193.8
[M+CH3COO]- 389.12735 219.1
[M+Na-2H]- 351.08817 182.4
[M]+ 330.11295 182.5
[M]- 330.11405 182.5
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.