CID 446323
4-(acetylamino)-3-guanidinobenzoic acid
Structural Information
- Molecular Formula
- C10H12N4O3
- SMILES
- CC(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N
- InChI
- InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
- InChIKey
- UDQJOWCVSMIZJP-UHFFFAOYSA-N
- Compound name
- 4-acetamido-3-(diaminomethylideneamino)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.09822 | 151.6 |
[M+Na]+ | 259.08016 | 156.9 |
[M-H]- | 235.08366 | 154.7 |
[M+NH4]+ | 254.12476 | 167.3 |
[M+K]+ | 275.05410 | 155.8 |
[M+H-H2O]+ | 219.08820 | 144.2 |
[M+HCOO]- | 281.08914 | 176.8 |
[M+CH3COO]- | 295.10479 | 201.4 |
[M+Na-2H]- | 257.06561 | 153.1 |
[M]+ | 236.09039 | 147.6 |
[M]- | 236.09149 | 147.6 |