CID 3091349

(1-benzoylamino-2-methyl-propenyl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C29H27NOP
SMILES
CC(=C(NC(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C29H26NOP/c1-23(2)29(30-28(31)24-15-7-3-8-16-24)32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,1-2H3/p+1
InChIKey
CHBJKSKMMROMCG-UHFFFAOYSA-O
Compound name
(1-benzamido-2-methylprop-1-enyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.183 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19028 214.7
[M+Na]+ 459.17222 214.7
[M-H]- 435.17572 224.1
[M+NH4]+ 454.21682 221.5
[M+K]+ 475.14616 202.8
[M+H-H2O]+ 419.18026 203.4
[M+HCOO]- 481.18120 237.0
[M+CH3COO]- 495.19685 225.2
[M+Na-2H]- 457.15767 214.8
[M]+ 436.18245 209.2
[M]- 436.18355 209.2
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.