CID 88868
21316-30-3
Structural Information
- Molecular Formula
- C12H17N5O
- SMILES
- CC1(N=C(N=C(N1C2=CC=C(C=C2)OC)N)N)C
- InChI
- InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)
- InChIKey
- KLCSZLKQTXQCTD-UHFFFAOYSA-N
- Compound name
- 1-(4-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.15059 | 158.2 |
[M+Na]+ | 270.13253 | 167.8 |
[M-H]- | 246.13603 | 161.0 |
[M+NH4]+ | 265.17713 | 173.0 |
[M+K]+ | 286.10647 | 164.0 |
[M+H-H2O]+ | 230.14057 | 149.3 |
[M+HCOO]- | 292.14151 | 178.9 |
[M+CH3COO]- | 306.15716 | 199.6 |
[M+Na-2H]- | 268.11798 | 163.5 |
[M]+ | 247.14276 | 156.7 |
[M]- | 247.14386 | 156.7 |