CID 122239

Dansylsarcosine

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C)CC(=O)O
InChI
InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKey
BRLJKBOXIVONAG-UHFFFAOYSA-N
Compound name
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

61
References

4720
Patents

322.09872 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 170.3
[M+Na]+ 345.087938 176.4
[M-H]- 321.091444 175.9
[M+NH4]+ 340.132543 185.7
[M+K]+ 361.061878 175.0
[M+H-H2O]+ 305.095980 163.1
[M+HCOO]- 367.096921 187.5
[M+CH3COO]- 381.112571 214.2
[M+Na-2H]- 343.073386 174.1
[M]+ 322.09817142 175.7
[M]- 322.09926858 175.7
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

patents stripe