CID 97104
73840-54-7
Structural Information
- Molecular Formula
- C12H13ClN4
- SMILES
- C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)Cl)N
- InChI
- InChI=1S/C12H13ClN4/c13-11-10(14)12(17-8-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H,15,16,17)
- InChIKey
- WPZRECFJUHBCHG-UHFFFAOYSA-N
- Compound name
- 6-chloro-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.09015 | 154.4 |
[M+Na]+ | 271.07209 | 162.8 |
[M-H]- | 247.07559 | 157.8 |
[M+NH4]+ | 266.11669 | 169.0 |
[M+K]+ | 287.04603 | 156.7 |
[M+H-H2O]+ | 231.08013 | 145.7 |
[M+HCOO]- | 293.08107 | 173.5 |
[M+CH3COO]- | 307.09672 | 165.9 |
[M+Na-2H]- | 269.05754 | 161.6 |
[M]+ | 248.08232 | 154.3 |
[M]- | 248.08342 | 154.3 |
Literature stripe
No literature data available for this compound.