CID 3828057

N-(triphenylphosphoranylidene)-1h-benzotriazole-1-methanamine

Structural Information

Molecular Formula
C25H21N4P
SMILES
C1=CC=C(C=C1)P(=NCN2C3=CC=CC=C3N=N2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H21N4P/c1-4-12-21(13-5-1)30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-20-29-25-19-11-10-18-24(25)27-28-29/h1-19H,20H2
InChIKey
IOSUDUVEOWKKBL-UHFFFAOYSA-N
Compound name
benzotriazol-1-ylmethylimino(triphenyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

408.1504 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15768 199.0
[M+Na]+ 431.13962 204.9
[M-H]- 407.14312 207.9
[M+NH4]+ 426.18422 207.1
[M+K]+ 447.11356 197.0
[M+H-H2O]+ 391.14766 183.0
[M+HCOO]- 453.14860 224.6
[M+CH3COO]- 467.16425 207.4
[M+Na-2H]- 429.12507 202.7
[M]+ 408.14985 198.3
[M]- 408.15095 198.3
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