CID 3015798
Benzoic acid, 4-((aminoiminomethyl)amino)-, phenyl ester, phosphate (1:1)
Structural Information
- Molecular Formula
- C14H13N3O2
- SMILES
- C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N
- InChI
- InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H4,15,16,17)
- InChIKey
- PXPIXLVXGYQMFM-UHFFFAOYSA-N
- Compound name
- phenyl 4-(diaminomethylideneamino)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.10805 | 157.0 |
[M+Na]+ | 278.08999 | 162.4 |
[M-H]- | 254.09349 | 164.1 |
[M+NH4]+ | 273.13459 | 172.6 |
[M+K]+ | 294.06393 | 159.7 |
[M+H-H2O]+ | 238.09803 | 148.4 |
[M+HCOO]- | 300.09897 | 183.5 |
[M+CH3COO]- | 314.11462 | 202.5 |
[M+Na-2H]- | 276.07544 | 161.5 |
[M]+ | 255.10022 | 154.3 |
[M]- | 255.10132 | 154.3 |