CID 370694

Nsc644081

Structural Information

Molecular Formula
C26H33N5O4
SMILES
CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CC=C)N=O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C26H33N5O4/c1-3-17-31(29-35)26(34)30(20-23-14-8-5-9-15-23)18-11-10-16-24(28-21(2)32)25(33)27-19-22-12-6-4-7-13-22/h3-9,12-15,24H,1,10-11,16-20H2,2H3,(H,27,33)(H,28,32)
InChIKey
CYIYUUGKMBIITI-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-[benzyl-[nitroso(prop-2-enyl)carbamoyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.25327 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.26055 220.2
[M+Na]+ 502.24249 217.7
[M-H]- 478.24599 228.3
[M+NH4]+ 497.28709 226.5
[M+K]+ 518.21643 217.4
[M+H-H2O]+ 462.25053 207.9
[M+HCOO]- 524.25147 245.6
[M+CH3COO]- 538.26712 257.0
[M+Na-2H]- 500.22794 218.9
[M]+ 479.25272 223.3
[M]- 479.25382 223.3
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.