CID 82685

Propanamide, 3,3'-thiobis[n-dodecyl-

Structural Information

Molecular Formula
C30H60N2O2S
SMILES
CCCCCCCCCCCCNC(=O)CCSCCC(=O)NCCCCCCCCCCCC
InChI
InChI=1S/C30H60N2O2S/c1-3-5-7-9-11-13-15-17-19-21-25-31-29(33)23-27-35-28-24-30(34)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)
InChIKey
OGZYGXNNROAPTD-UHFFFAOYSA-N
Compound name
N-dodecyl-3-[3-(dodecylamino)-3-oxopropyl]sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.43756 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.44484 238.5
[M+Na]+ 535.42678 268.3
[M-H]- 511.43028 246.8
[M+NH4]+ 530.47138 258.5
[M+K]+ 551.40072 226.9
[M+H-H2O]+ 495.43482 228.2
[M+HCOO]- 557.43576 263.0
[M+CH3COO]- 571.45141 253.9
[M+Na-2H]- 533.41223 229.4
[M]+ 512.43701 257.9
[M]- 512.43811 257.9
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

patents stripe