CID 20836180

9-octadecenamide, n-1-pyrenyl-, (z)-

Structural Information

Molecular Formula
C34H43NO
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C34H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(36)35-31-26-24-29-22-21-27-18-17-19-28-23-25-30(31)34(29)33(27)28/h9-10,17-19,21-26H,2-8,11-16,20H2,1H3,(H,35,36)/b10-9-
InChIKey
WPMOMVAOAJIBNR-KTKRTIGZSA-N
Compound name
(Z)-N-pyren-1-yloctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

481.33447 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.34175 230.6
[M+Na]+ 504.32369 232.3
[M-H]- 480.32719 232.1
[M+NH4]+ 499.36829 240.9
[M+K]+ 520.29763 222.8
[M+H-H2O]+ 464.33173 219.1
[M+HCOO]- 526.33267 245.7
[M+CH3COO]- 540.34832 248.7
[M+Na-2H]- 502.30914 231.7
[M]+ 481.33392 237.5
[M]- 481.33502 237.5
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

patents stripe