CID 2724700
Pybop
Structural Information
- Molecular Formula
- C18H28N6OP
- SMILES
- C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4
- InChI
- InChI=1S/C18H28N6OP/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-2,9-10H,3-8,11-16H2/q+1
- InChIKey
- WGNZRLMOMHJUSP-UHFFFAOYSA-N
- Compound name
- benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.21348 | 184.1 |
[M+Na]+ | 398.19542 | 185.2 |
[M-H]- | 374.19892 | 189.3 |
[M+NH4]+ | 393.24002 | 194.2 |
[M+K]+ | 414.16936 | 179.0 |
[M+H-H2O]+ | 358.20346 | 172.0 |
[M+HCOO]- | 420.20440 | 200.1 |
[M+CH3COO]- | 434.22005 | 207.3 |
[M+Na-2H]- | 396.18087 | 178.8 |
[M]+ | 375.20565 | 177.6 |
[M]- | 375.20675 | 177.6 |